USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 145:sc= -3.31! 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 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -69:sc= 0.584 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 65:sc= -1.77! USER MOD Single : A 33 THR OG1 : rot 160:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.769 USER MOD Single : A 35 TYR OH : rot -160:sc= -1.91! USER MOD Single : A 36 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.27) USER MOD Single : A 37 SER OG : rot 35:sc= 0.929 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -132:sc= -2.03! (180deg=-4.93!) USER MOD Single : A 50 THR OG1 : rot 72:sc= -7.37! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 12:sc= 0.228 USER MOD Single : A 60 THR OG1 : rot 88:sc= 1.13 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= -4.86! USER MOD Single : A 71 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.374 -17.266 2.013 1.00 0.00 N ATOM 2 CA MET A 1 55.826 -16.163 1.118 1.00 0.00 C ATOM 3 C MET A 1 54.659 -15.711 0.238 1.00 0.00 C ATOM 4 O MET A 1 53.880 -16.513 -0.237 1.00 0.00 O ATOM 5 CB MET A 1 56.970 -16.662 0.232 1.00 0.00 C ATOM 6 CG MET A 1 57.979 -15.532 0.016 1.00 0.00 C ATOM 7 SD MET A 1 59.632 -16.104 0.481 1.00 0.00 S ATOM 8 CE MET A 1 60.188 -16.565 -1.178 1.00 0.00 C ATOM 0 H1 MET A 1 56.167 -17.574 2.612 1.00 0.00 H new ATOM 0 H2 MET A 1 54.596 -16.928 2.615 1.00 0.00 H new ATOM 0 H3 MET A 1 55.043 -18.067 1.437 1.00 0.00 H new ATOM 0 HA MET A 1 56.173 -15.324 1.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 57.460 -17.517 0.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 56.579 -17.003 -0.727 1.00 0.00 H new ATOM 0 HG2 MET A 1 57.971 -15.217 -1.028 1.00 0.00 H new ATOM 0 HG3 MET A 1 57.702 -14.663 0.613 1.00 0.00 H new ATOM 0 HE1 MET A 1 61.206 -16.952 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 1 59.528 -17.332 -1.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 60.165 -15.689 -1.826 1.00 0.00 H new ATOM 18 N ALA A 2 54.533 -14.431 0.015 1.00 0.00 N ATOM 19 CA ALA A 2 53.416 -13.930 -0.835 1.00 0.00 C ATOM 20 C ALA A 2 53.969 -13.471 -2.185 1.00 0.00 C ATOM 21 O ALA A 2 53.628 -14.006 -3.220 1.00 0.00 O ATOM 22 CB ALA A 2 52.732 -12.751 -0.138 1.00 0.00 C ATOM 0 H ALA A 2 55.155 -13.711 0.384 1.00 0.00 H new ATOM 0 HA ALA A 2 52.692 -14.730 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 2 51.915 -12.385 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.337 -13.076 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 2 53.456 -11.951 0.018 1.00 0.00 H new ATOM 28 N GLU A 3 54.820 -12.481 -2.183 1.00 0.00 N ATOM 29 CA GLU A 3 55.392 -11.990 -3.469 1.00 0.00 C ATOM 30 C GLU A 3 56.905 -12.213 -3.476 1.00 0.00 C ATOM 31 O GLU A 3 57.388 -13.234 -3.923 1.00 0.00 O ATOM 32 CB GLU A 3 55.096 -10.497 -3.622 1.00 0.00 C ATOM 33 CG GLU A 3 53.742 -10.313 -4.309 1.00 0.00 C ATOM 34 CD GLU A 3 53.939 -10.272 -5.825 1.00 0.00 C ATOM 35 OE1 GLU A 3 54.778 -9.507 -6.273 1.00 0.00 O ATOM 36 OE2 GLU A 3 53.250 -11.007 -6.513 1.00 0.00 O ATOM 0 H GLU A 3 55.143 -11.992 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 3 54.942 -12.537 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 3 55.088 -10.015 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 3 55.881 -10.018 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 3 53.072 -11.130 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 3 53.272 -9.391 -3.968 1.00 0.00 H new ATOM 43 N ASP A 4 57.659 -11.266 -2.986 1.00 0.00 N ATOM 44 CA ASP A 4 59.140 -11.430 -2.969 1.00 0.00 C ATOM 45 C ASP A 4 59.751 -10.515 -1.906 1.00 0.00 C ATOM 46 O ASP A 4 60.431 -9.557 -2.217 1.00 0.00 O ATOM 47 CB ASP A 4 59.710 -11.060 -4.340 1.00 0.00 C ATOM 48 CG ASP A 4 59.493 -12.218 -5.315 1.00 0.00 C ATOM 49 OD1 ASP A 4 60.291 -13.141 -5.296 1.00 0.00 O ATOM 50 OD2 ASP A 4 58.533 -12.162 -6.066 1.00 0.00 O ATOM 0 H ASP A 4 57.314 -10.388 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 4 59.382 -12.467 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 4 59.225 -10.159 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 4 60.774 -10.837 -4.255 1.00 0.00 H new ATOM 55 N TRP A 5 59.523 -10.803 -0.653 1.00 0.00 N ATOM 56 CA TRP A 5 60.101 -9.949 0.422 1.00 0.00 C ATOM 57 C TRP A 5 61.622 -10.105 0.425 1.00 0.00 C ATOM 58 O TRP A 5 62.158 -11.039 0.986 1.00 0.00 O ATOM 59 CB TRP A 5 59.544 -10.387 1.777 1.00 0.00 C ATOM 60 CG TRP A 5 58.053 -10.449 1.705 1.00 0.00 C ATOM 61 CD1 TRP A 5 57.339 -11.530 1.317 1.00 0.00 C ATOM 62 CD2 TRP A 5 57.084 -9.409 2.021 1.00 0.00 C ATOM 63 NE1 TRP A 5 55.992 -11.220 1.376 1.00 0.00 N ATOM 64 CE2 TRP A 5 55.784 -9.924 1.805 1.00 0.00 C ATOM 65 CE3 TRP A 5 57.206 -8.082 2.470 1.00 0.00 C ATOM 66 CZ2 TRP A 5 54.645 -9.149 2.026 1.00 0.00 C ATOM 67 CZ3 TRP A 5 56.061 -7.299 2.694 1.00 0.00 C ATOM 68 CH2 TRP A 5 54.783 -7.832 2.473 1.00 0.00 C ATOM 0 H TRP A 5 58.963 -11.591 -0.329 1.00 0.00 H new ATOM 0 HA TRP A 5 59.838 -8.907 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 5 59.947 -11.362 2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 5 59.853 -9.686 2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 5 57.753 -12.480 1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 5 55.244 -11.869 1.132 1.00 0.00 H new ATOM 0 HE3 TRP A 5 58.186 -7.662 2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 53.663 -9.564 1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 56.166 -6.281 3.038 1.00 0.00 H new ATOM 0 HH2 TRP A 5 53.907 -7.226 2.648 1.00 0.00 H new ATOM 79 N LEU A 6 62.324 -9.199 -0.198 1.00 0.00 N ATOM 80 CA LEU A 6 63.809 -9.302 -0.228 1.00 0.00 C ATOM 81 C LEU A 6 64.409 -8.311 0.769 1.00 0.00 C ATOM 82 O LEU A 6 63.828 -7.286 1.067 1.00 0.00 O ATOM 83 CB LEU A 6 64.316 -8.980 -1.635 1.00 0.00 C ATOM 84 CG LEU A 6 63.570 -9.839 -2.656 1.00 0.00 C ATOM 85 CD1 LEU A 6 63.868 -9.331 -4.067 1.00 0.00 C ATOM 86 CD2 LEU A 6 64.031 -11.292 -2.531 1.00 0.00 C ATOM 0 H LEU A 6 61.934 -8.393 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 6 64.107 -10.315 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.165 -7.923 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.388 -9.169 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 6 62.498 -9.778 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.336 -9.944 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.541 -8.295 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.940 -9.391 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 6 63.500 -11.906 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.103 -11.351 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 6 63.819 -11.656 -1.526 1.00 0.00 H new ATOM 98 N ASP A 7 65.571 -8.604 1.285 1.00 0.00 N ATOM 99 CA ASP A 7 66.205 -7.673 2.259 1.00 0.00 C ATOM 100 C ASP A 7 66.137 -6.249 1.708 1.00 0.00 C ATOM 101 O ASP A 7 66.503 -5.996 0.578 1.00 0.00 O ATOM 102 CB ASP A 7 67.667 -8.071 2.470 1.00 0.00 C ATOM 103 CG ASP A 7 67.738 -9.525 2.940 1.00 0.00 C ATOM 104 OD1 ASP A 7 66.700 -10.069 3.279 1.00 0.00 O ATOM 105 OD2 ASP A 7 68.830 -10.069 2.953 1.00 0.00 O ATOM 0 H ASP A 7 66.107 -9.446 1.075 1.00 0.00 H new ATOM 0 HA ASP A 7 65.678 -7.723 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 7 68.225 -7.950 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 7 68.130 -7.416 3.208 1.00 0.00 H new ATOM 110 N CYS A 8 65.666 -5.319 2.492 1.00 0.00 N ATOM 111 CA CYS A 8 65.570 -3.912 2.007 1.00 0.00 C ATOM 112 C CYS A 8 66.946 -3.239 2.100 1.00 0.00 C ATOM 113 O CYS A 8 67.456 -3.034 3.183 1.00 0.00 O ATOM 114 CB CYS A 8 64.577 -3.144 2.880 1.00 0.00 C ATOM 115 SG CYS A 8 64.446 -1.439 2.286 1.00 0.00 S ATOM 0 H CYS A 8 65.343 -5.472 3.447 1.00 0.00 H new ATOM 0 HA CYS A 8 65.232 -3.909 0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 8 63.600 -3.627 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 8 64.906 -3.154 3.919 1.00 0.00 H new ATOM 0 HG CYS A 8 63.227 -1.016 2.445 1.00 0.00 H new ATOM 121 N PRO A 9 67.507 -2.908 0.963 1.00 0.00 N ATOM 122 CA PRO A 9 68.824 -2.251 0.897 1.00 0.00 C ATOM 123 C PRO A 9 68.687 -0.759 1.214 1.00 0.00 C ATOM 124 O PRO A 9 69.448 -0.204 1.980 1.00 0.00 O ATOM 125 CB PRO A 9 69.257 -2.460 -0.556 1.00 0.00 C ATOM 126 CG PRO A 9 67.961 -2.702 -1.366 1.00 0.00 C ATOM 127 CD PRO A 9 66.890 -3.156 -0.356 1.00 0.00 C ATOM 0 HA PRO A 9 69.542 -2.653 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 9 69.793 -1.588 -0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 9 69.933 -3.311 -0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 9 67.649 -1.792 -1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 9 68.119 -3.462 -2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 9 65.965 -2.591 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 9 66.640 -4.209 -0.487 1.00 0.00 H new ATOM 135 N ALA A 10 67.720 -0.107 0.627 1.00 0.00 N ATOM 136 CA ALA A 10 67.533 1.347 0.893 1.00 0.00 C ATOM 137 C ALA A 10 67.606 1.608 2.399 1.00 0.00 C ATOM 138 O ALA A 10 68.008 2.669 2.835 1.00 0.00 O ATOM 139 CB ALA A 10 66.169 1.794 0.364 1.00 0.00 C ATOM 0 H ALA A 10 67.052 -0.519 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 10 68.320 1.909 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 10 66.034 2.858 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 10 66.118 1.613 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.382 1.230 0.865 1.00 0.00 H new ATOM 145 N LEU A 11 67.218 0.653 3.201 1.00 0.00 N ATOM 146 CA LEU A 11 67.265 0.860 4.676 1.00 0.00 C ATOM 147 C LEU A 11 68.268 -0.108 5.309 1.00 0.00 C ATOM 148 O LEU A 11 69.243 0.301 5.907 1.00 0.00 O ATOM 149 CB LEU A 11 65.874 0.619 5.270 1.00 0.00 C ATOM 150 CG LEU A 11 64.824 1.385 4.458 1.00 0.00 C ATOM 151 CD1 LEU A 11 63.524 1.474 5.260 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.333 2.798 4.160 1.00 0.00 C ATOM 0 H LEU A 11 66.872 -0.258 2.900 1.00 0.00 H new ATOM 0 HA LEU A 11 67.579 1.883 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.645 -0.447 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.851 0.944 6.310 1.00 0.00 H new ATOM 0 HG LEU A 11 64.641 0.860 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 11 62.777 2.019 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.157 0.469 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 11 63.710 1.997 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.584 3.340 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.519 3.323 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.259 2.738 3.588 1.00 0.00 H new ATOM 164 N GLY A 12 68.040 -1.388 5.188 1.00 0.00 N ATOM 165 CA GLY A 12 68.990 -2.368 5.791 1.00 0.00 C ATOM 166 C GLY A 12 68.289 -3.717 5.992 1.00 0.00 C ATOM 167 O GLY A 12 67.368 -4.049 5.273 1.00 0.00 O ATOM 0 H GLY A 12 67.242 -1.796 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 12 69.858 -2.492 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 12 69.356 -1.992 6.747 1.00 0.00 H new ATOM 171 N PRO A 13 68.752 -4.455 6.971 1.00 0.00 N ATOM 172 CA PRO A 13 68.194 -5.779 7.301 1.00 0.00 C ATOM 173 C PRO A 13 66.884 -5.626 8.078 1.00 0.00 C ATOM 174 O PRO A 13 66.440 -4.528 8.352 1.00 0.00 O ATOM 175 CB PRO A 13 69.278 -6.418 8.172 1.00 0.00 C ATOM 176 CG PRO A 13 70.115 -5.254 8.753 1.00 0.00 C ATOM 177 CD PRO A 13 69.871 -4.037 7.840 1.00 0.00 C ATOM 0 HA PRO A 13 67.956 -6.377 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 13 68.834 -7.013 8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 13 69.903 -7.090 7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 13 69.815 -5.035 9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 13 71.173 -5.513 8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 13 69.616 -3.150 8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 13 70.759 -3.792 7.257 1.00 0.00 H new ATOM 185 N GLY A 14 66.259 -6.718 8.432 1.00 0.00 N ATOM 186 CA GLY A 14 64.974 -6.631 9.184 1.00 0.00 C ATOM 187 C GLY A 14 63.905 -6.031 8.272 1.00 0.00 C ATOM 188 O GLY A 14 62.932 -6.673 7.927 1.00 0.00 O ATOM 0 H GLY A 14 66.583 -7.665 8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 14 64.668 -7.621 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 14 65.099 -6.014 10.074 1.00 0.00 H new ATOM 192 N TRP A 15 64.087 -4.805 7.869 1.00 0.00 N ATOM 193 CA TRP A 15 63.097 -4.158 6.968 1.00 0.00 C ATOM 194 C TRP A 15 62.869 -5.055 5.748 1.00 0.00 C ATOM 195 O TRP A 15 63.803 -5.454 5.081 1.00 0.00 O ATOM 196 CB TRP A 15 63.651 -2.806 6.517 1.00 0.00 C ATOM 197 CG TRP A 15 62.528 -1.852 6.283 1.00 0.00 C ATOM 198 CD1 TRP A 15 62.257 -1.251 5.104 1.00 0.00 C ATOM 199 CD2 TRP A 15 61.525 -1.378 7.226 1.00 0.00 C ATOM 200 NE1 TRP A 15 61.153 -0.434 5.263 1.00 0.00 N ATOM 201 CE2 TRP A 15 60.665 -0.480 6.553 1.00 0.00 C ATOM 202 CE3 TRP A 15 61.281 -1.636 8.586 1.00 0.00 C ATOM 203 CZ2 TRP A 15 59.600 0.140 7.204 1.00 0.00 C ATOM 204 CZ3 TRP A 15 60.210 -1.013 9.245 1.00 0.00 C ATOM 205 CH2 TRP A 15 59.371 -0.127 8.556 1.00 0.00 C ATOM 0 H TRP A 15 64.883 -4.222 8.127 1.00 0.00 H new ATOM 0 HA TRP A 15 62.152 -4.011 7.490 1.00 0.00 H new ATOM 0 HB2 TRP A 15 64.326 -2.408 7.275 1.00 0.00 H new ATOM 0 HB3 TRP A 15 64.233 -2.928 5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 15 62.812 -1.386 4.187 1.00 0.00 H new ATOM 0 HE1 TRP A 15 60.749 0.133 4.518 1.00 0.00 H new ATOM 0 HE3 TRP A 15 61.921 -2.317 9.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 58.957 0.822 6.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 60.031 -1.218 10.290 1.00 0.00 H new ATOM 0 HH2 TRP A 15 58.549 0.349 9.069 1.00 0.00 H new ATOM 216 N LYS A 16 61.640 -5.383 5.451 1.00 0.00 N ATOM 217 CA LYS A 16 61.372 -6.261 4.279 1.00 0.00 C ATOM 218 C LYS A 16 60.922 -5.412 3.089 1.00 0.00 C ATOM 219 O LYS A 16 59.875 -4.795 3.112 1.00 0.00 O ATOM 220 CB LYS A 16 60.276 -7.268 4.634 1.00 0.00 C ATOM 221 CG LYS A 16 60.910 -8.630 4.923 1.00 0.00 C ATOM 222 CD LYS A 16 61.643 -8.578 6.264 1.00 0.00 C ATOM 223 CE LYS A 16 61.159 -9.722 7.157 1.00 0.00 C ATOM 224 NZ LYS A 16 62.287 -10.205 8.002 1.00 0.00 N ATOM 0 H LYS A 16 60.814 -5.082 5.968 1.00 0.00 H new ATOM 0 HA LYS A 16 62.284 -6.796 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 16 59.718 -6.923 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.565 -7.353 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 16 60.142 -9.403 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 16 61.605 -8.896 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.719 -8.657 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 16 61.462 -7.620 6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 16 60.338 -9.382 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 16 60.774 -10.538 6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 61.958 -10.983 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 63.057 -10.545 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 62.634 -9.425 8.596 1.00 0.00 H new ATOM 238 N ARG A 17 61.708 -5.378 2.047 1.00 0.00 N ATOM 239 CA ARG A 17 61.331 -4.573 0.852 1.00 0.00 C ATOM 240 C ARG A 17 60.647 -5.483 -0.172 1.00 0.00 C ATOM 241 O ARG A 17 61.290 -6.247 -0.863 1.00 0.00 O ATOM 242 CB ARG A 17 62.594 -3.965 0.234 1.00 0.00 C ATOM 243 CG ARG A 17 62.210 -2.886 -0.780 1.00 0.00 C ATOM 244 CD ARG A 17 63.425 -1.995 -1.059 1.00 0.00 C ATOM 245 NE ARG A 17 62.969 -0.692 -1.615 1.00 0.00 N ATOM 246 CZ ARG A 17 62.141 -0.664 -2.623 1.00 0.00 C ATOM 247 NH1 ARG A 17 62.361 -1.414 -3.668 1.00 0.00 N ATOM 248 NH2 ARG A 17 61.095 0.115 -2.588 1.00 0.00 N ATOM 0 H ARG A 17 62.596 -5.874 1.973 1.00 0.00 H new ATOM 0 HA ARG A 17 60.649 -3.775 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 17 63.221 -3.535 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 63.181 -4.743 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 17 61.863 -3.347 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.386 -2.286 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 17 63.989 -1.833 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 17 64.096 -2.487 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 17 63.304 0.181 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 17 63.180 -2.022 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 17 61.714 -1.393 -4.456 1.00 0.00 H new ATOM 0 HH21 ARG A 17 60.924 0.703 -1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 17 60.448 0.136 -3.376 1.00 0.00 H new ATOM 262 N ARG A 18 59.347 -5.415 -0.270 1.00 0.00 N ATOM 263 CA ARG A 18 58.628 -6.285 -1.245 1.00 0.00 C ATOM 264 C ARG A 18 58.287 -5.487 -2.505 1.00 0.00 C ATOM 265 O ARG A 18 58.103 -4.287 -2.463 1.00 0.00 O ATOM 266 CB ARG A 18 57.337 -6.803 -0.609 1.00 0.00 C ATOM 267 CG ARG A 18 56.595 -7.688 -1.611 1.00 0.00 C ATOM 268 CD ARG A 18 55.309 -8.217 -0.973 1.00 0.00 C ATOM 269 NE ARG A 18 54.197 -8.140 -1.961 1.00 0.00 N ATOM 270 CZ ARG A 18 52.961 -8.080 -1.548 1.00 0.00 C ATOM 271 NH1 ARG A 18 52.488 -6.965 -1.063 1.00 0.00 N ATOM 272 NH2 ARG A 18 52.197 -9.137 -1.619 1.00 0.00 N ATOM 0 H ARG A 18 58.753 -4.796 0.281 1.00 0.00 H new ATOM 0 HA ARG A 18 59.269 -7.125 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.566 -7.370 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.706 -5.967 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 18 56.360 -7.119 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 18 57.230 -8.519 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.449 -9.248 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 18 55.063 -7.633 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 18 54.402 -8.134 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.085 -6.140 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 18 51.522 -6.919 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.567 -10.009 -1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.231 -9.090 -1.296 1.00 0.00 H new ATOM 286 N GLU A 19 58.199 -6.150 -3.627 1.00 0.00 N ATOM 287 CA GLU A 19 57.868 -5.439 -4.895 1.00 0.00 C ATOM 288 C GLU A 19 56.664 -6.115 -5.555 1.00 0.00 C ATOM 289 O GLU A 19 56.561 -7.325 -5.589 1.00 0.00 O ATOM 290 CB GLU A 19 59.068 -5.499 -5.842 1.00 0.00 C ATOM 291 CG GLU A 19 59.391 -6.960 -6.165 1.00 0.00 C ATOM 292 CD GLU A 19 60.899 -7.186 -6.056 1.00 0.00 C ATOM 293 OE1 GLU A 19 61.520 -6.524 -5.241 1.00 0.00 O ATOM 294 OE2 GLU A 19 61.408 -8.017 -6.790 1.00 0.00 O ATOM 0 H GLU A 19 58.342 -7.156 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 19 57.629 -4.398 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.849 -4.953 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 19 59.931 -5.017 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 19 58.863 -7.621 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 19 59.048 -7.206 -7.170 1.00 0.00 H new ATOM 301 N VAL A 20 55.752 -5.343 -6.080 1.00 0.00 N ATOM 302 CA VAL A 20 54.556 -5.942 -6.737 1.00 0.00 C ATOM 303 C VAL A 20 54.279 -5.209 -8.052 1.00 0.00 C ATOM 304 O VAL A 20 54.611 -4.052 -8.211 1.00 0.00 O ATOM 305 CB VAL A 20 53.347 -5.806 -5.809 1.00 0.00 C ATOM 306 CG1 VAL A 20 52.197 -6.669 -6.333 1.00 0.00 C ATOM 307 CG2 VAL A 20 53.731 -6.271 -4.403 1.00 0.00 C ATOM 0 H VAL A 20 55.784 -4.323 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 20 54.739 -6.997 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 20 53.031 -4.763 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 20 51.337 -6.571 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 20 51.922 -6.340 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 20 52.511 -7.712 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 20 52.871 -6.175 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 20 54.047 -7.314 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 20 54.549 -5.656 -4.027 1.00 0.00 H new ATOM 317 N PHE A 21 53.674 -5.876 -8.997 1.00 0.00 N ATOM 318 CA PHE A 21 53.378 -5.217 -10.302 1.00 0.00 C ATOM 319 C PHE A 21 54.690 -4.817 -10.981 1.00 0.00 C ATOM 320 O PHE A 21 54.712 -4.000 -11.881 1.00 0.00 O ATOM 321 CB PHE A 21 52.524 -3.970 -10.063 1.00 0.00 C ATOM 322 CG PHE A 21 51.063 -4.330 -10.175 1.00 0.00 C ATOM 323 CD1 PHE A 21 50.520 -4.671 -11.419 1.00 0.00 C ATOM 324 CD2 PHE A 21 50.249 -4.321 -9.035 1.00 0.00 C ATOM 325 CE1 PHE A 21 49.165 -5.004 -11.525 1.00 0.00 C ATOM 326 CE2 PHE A 21 48.893 -4.654 -9.141 1.00 0.00 C ATOM 327 CZ PHE A 21 48.351 -4.996 -10.386 1.00 0.00 C ATOM 0 H PHE A 21 53.372 -6.847 -8.922 1.00 0.00 H new ATOM 0 HA PHE A 21 52.834 -5.910 -10.944 1.00 0.00 H new ATOM 0 HB2 PHE A 21 52.733 -3.557 -9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 21 52.776 -3.199 -10.791 1.00 0.00 H new ATOM 0 HD1 PHE A 21 51.147 -4.677 -12.298 1.00 0.00 H new ATOM 0 HD2 PHE A 21 50.667 -4.057 -8.075 1.00 0.00 H new ATOM 0 HE1 PHE A 21 48.747 -5.267 -12.485 1.00 0.00 H new ATOM 0 HE2 PHE A 21 48.265 -4.647 -8.262 1.00 0.00 H new ATOM 0 HZ PHE A 21 47.305 -5.254 -10.468 1.00 0.00 H new ATOM 337 N ARG A 22 55.784 -5.385 -10.555 1.00 0.00 N ATOM 338 CA ARG A 22 57.096 -5.038 -11.172 1.00 0.00 C ATOM 339 C ARG A 22 57.391 -5.994 -12.331 1.00 0.00 C ATOM 340 O ARG A 22 57.675 -5.574 -13.436 1.00 0.00 O ATOM 341 CB ARG A 22 58.200 -5.159 -10.119 1.00 0.00 C ATOM 342 CG ARG A 22 58.876 -3.800 -9.926 1.00 0.00 C ATOM 343 CD ARG A 22 60.349 -3.901 -10.326 1.00 0.00 C ATOM 344 NE ARG A 22 61.072 -4.764 -9.350 1.00 0.00 N ATOM 345 CZ ARG A 22 62.051 -4.271 -8.641 1.00 0.00 C ATOM 346 NH1 ARG A 22 63.058 -3.690 -9.233 1.00 0.00 N ATOM 347 NH2 ARG A 22 62.023 -4.359 -7.339 1.00 0.00 N ATOM 0 H ARG A 22 55.827 -6.075 -9.805 1.00 0.00 H new ATOM 0 HA ARG A 22 57.059 -4.016 -11.549 1.00 0.00 H new ATOM 0 HB2 ARG A 22 57.780 -5.505 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 22 58.935 -5.901 -10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 22 58.375 -3.044 -10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 22 58.791 -3.484 -8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 22 60.436 -4.317 -11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 22 60.798 -2.908 -10.352 1.00 0.00 H new ATOM 0 HE ARG A 22 60.802 -5.741 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 22 63.081 -3.621 -10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 22 63.823 -3.305 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 22 61.236 -4.813 -6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 22 62.788 -3.974 -6.785 1.00 0.00 H new ATOM 361 N LYS A 23 57.332 -7.275 -12.090 1.00 0.00 N ATOM 362 CA LYS A 23 57.616 -8.251 -13.180 1.00 0.00 C ATOM 363 C LYS A 23 56.305 -8.688 -13.837 1.00 0.00 C ATOM 364 O LYS A 23 55.229 -8.394 -13.357 1.00 0.00 O ATOM 365 CB LYS A 23 58.327 -9.473 -12.598 1.00 0.00 C ATOM 366 CG LYS A 23 59.840 -9.245 -12.625 1.00 0.00 C ATOM 367 CD LYS A 23 60.342 -8.977 -11.205 1.00 0.00 C ATOM 368 CE LYS A 23 61.615 -9.787 -10.952 1.00 0.00 C ATOM 369 NZ LYS A 23 62.729 -8.862 -10.599 1.00 0.00 N ATOM 0 H LYS A 23 57.100 -7.688 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 23 58.254 -7.780 -13.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 57.993 -9.648 -11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 23 58.072 -10.363 -13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 23 60.343 -10.118 -13.041 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.080 -8.401 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.543 -7.914 -11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.575 -9.249 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 23 61.451 -10.501 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 23 61.874 -10.364 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 63.595 -9.411 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 62.890 -8.198 -11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 62.480 -8.330 -9.741 1.00 0.00 H new ATOM 383 N SER A 24 56.389 -9.391 -14.935 1.00 0.00 N ATOM 384 CA SER A 24 55.151 -9.849 -15.625 1.00 0.00 C ATOM 385 C SER A 24 54.388 -8.635 -16.163 1.00 0.00 C ATOM 386 O SER A 24 53.552 -8.068 -15.489 1.00 0.00 O ATOM 387 CB SER A 24 54.268 -10.611 -14.636 1.00 0.00 C ATOM 388 OG SER A 24 53.405 -11.483 -15.353 1.00 0.00 O ATOM 0 H SER A 24 57.263 -9.667 -15.383 1.00 0.00 H new ATOM 0 HA SER A 24 55.418 -10.506 -16.453 1.00 0.00 H new ATOM 0 HB2 SER A 24 54.887 -11.181 -13.943 1.00 0.00 H new ATOM 0 HB3 SER A 24 53.683 -9.911 -14.039 1.00 0.00 H new ATOM 0 HG SER A 24 52.839 -11.974 -14.722 1.00 0.00 H new ATOM 394 N GLY A 25 54.672 -8.232 -17.372 1.00 0.00 N ATOM 395 CA GLY A 25 53.964 -7.054 -17.950 1.00 0.00 C ATOM 396 C GLY A 25 54.684 -6.596 -19.220 1.00 0.00 C ATOM 397 O GLY A 25 55.807 -6.981 -19.482 1.00 0.00 O ATOM 0 H GLY A 25 55.363 -8.667 -17.984 1.00 0.00 H new ATOM 0 HA2 GLY A 25 52.931 -7.314 -18.179 1.00 0.00 H new ATOM 0 HA3 GLY A 25 53.934 -6.242 -17.223 1.00 0.00 H new ATOM 401 N ALA A 26 54.047 -5.776 -20.012 1.00 0.00 N ATOM 402 CA ALA A 26 54.695 -5.294 -21.265 1.00 0.00 C ATOM 403 C ALA A 26 55.634 -4.131 -20.938 1.00 0.00 C ATOM 404 O ALA A 26 56.834 -4.297 -20.847 1.00 0.00 O ATOM 405 CB ALA A 26 53.621 -4.822 -22.246 1.00 0.00 C ATOM 0 H ALA A 26 53.106 -5.419 -19.845 1.00 0.00 H new ATOM 0 HA ALA A 26 55.265 -6.107 -21.715 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.095 -4.470 -23.162 1.00 0.00 H new ATOM 0 HB2 ALA A 26 52.952 -5.650 -22.479 1.00 0.00 H new ATOM 0 HB3 ALA A 26 53.050 -4.009 -21.797 1.00 0.00 H new ATOM 411 N THR A 27 55.098 -2.954 -20.762 1.00 0.00 N ATOM 412 CA THR A 27 55.961 -1.782 -20.440 1.00 0.00 C ATOM 413 C THR A 27 55.198 -0.825 -19.522 1.00 0.00 C ATOM 414 O THR A 27 54.739 0.219 -19.942 1.00 0.00 O ATOM 415 CB THR A 27 56.343 -1.056 -21.732 1.00 0.00 C ATOM 416 OG1 THR A 27 56.914 0.206 -21.413 1.00 0.00 O ATOM 417 CG2 THR A 27 55.097 -0.850 -22.592 1.00 0.00 C ATOM 0 H THR A 27 54.100 -2.753 -20.827 1.00 0.00 H new ATOM 0 HA THR A 27 56.865 -2.125 -19.937 1.00 0.00 H new ATOM 0 HB THR A 27 57.067 -1.655 -22.284 1.00 0.00 H new ATOM 0 HG1 THR A 27 56.223 0.793 -21.042 1.00 0.00 H new ATOM 0 HG21 THR A 27 55.371 -0.333 -23.512 1.00 0.00 H new ATOM 0 HG22 THR A 27 54.660 -1.818 -22.837 1.00 0.00 H new ATOM 0 HG23 THR A 27 54.370 -0.252 -22.042 1.00 0.00 H new ATOM 425 N CYS A 28 55.059 -1.172 -18.272 1.00 0.00 N ATOM 426 CA CYS A 28 54.326 -0.281 -17.328 1.00 0.00 C ATOM 427 C CYS A 28 55.311 0.696 -16.683 1.00 0.00 C ATOM 428 O CYS A 28 55.306 1.877 -16.968 1.00 0.00 O ATOM 429 CB CYS A 28 53.660 -1.126 -16.241 1.00 0.00 C ATOM 430 SG CYS A 28 52.227 -0.239 -15.581 1.00 0.00 S ATOM 0 H CYS A 28 55.421 -2.034 -17.863 1.00 0.00 H new ATOM 0 HA CYS A 28 53.563 0.276 -17.872 1.00 0.00 H new ATOM 0 HB2 CYS A 28 53.349 -2.087 -16.652 1.00 0.00 H new ATOM 0 HB3 CYS A 28 54.371 -1.336 -15.442 1.00 0.00 H new ATOM 0 HG CYS A 28 51.659 -0.958 -14.659 1.00 0.00 H new ATOM 436 N GLY A 29 56.158 0.213 -15.816 1.00 0.00 N ATOM 437 CA GLY A 29 57.144 1.115 -15.156 1.00 0.00 C ATOM 438 C GLY A 29 56.495 1.785 -13.944 1.00 0.00 C ATOM 439 O GLY A 29 56.272 2.979 -13.928 1.00 0.00 O ATOM 0 H GLY A 29 56.210 -0.766 -15.536 1.00 0.00 H new ATOM 0 HA2 GLY A 29 58.020 0.547 -14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 29 57.489 1.871 -15.861 1.00 0.00 H new ATOM 443 N ARG A 30 56.192 1.025 -12.927 1.00 0.00 N ATOM 444 CA ARG A 30 55.560 1.619 -11.716 1.00 0.00 C ATOM 445 C ARG A 30 55.580 0.594 -10.581 1.00 0.00 C ATOM 446 O ARG A 30 56.196 0.802 -9.555 1.00 0.00 O ATOM 447 CB ARG A 30 54.113 2.004 -12.032 1.00 0.00 C ATOM 448 CG ARG A 30 53.834 3.417 -11.513 1.00 0.00 C ATOM 449 CD ARG A 30 53.271 3.340 -10.093 1.00 0.00 C ATOM 450 NE ARG A 30 52.888 4.706 -9.636 1.00 0.00 N ATOM 451 CZ ARG A 30 51.657 5.119 -9.773 1.00 0.00 C ATOM 452 NH1 ARG A 30 51.188 5.394 -10.959 1.00 0.00 N ATOM 453 NH2 ARG A 30 50.896 5.256 -8.722 1.00 0.00 N ATOM 0 H ARG A 30 56.355 0.019 -12.883 1.00 0.00 H new ATOM 0 HA ARG A 30 56.113 2.508 -11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 30 53.941 1.960 -13.107 1.00 0.00 H new ATOM 0 HB3 ARG A 30 53.428 1.294 -11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 30 54.751 4.006 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 30 53.126 3.923 -12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 30 52.404 2.680 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 30 54.014 2.914 -9.418 1.00 0.00 H new ATOM 0 HE ARG A 30 53.588 5.318 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 30 51.783 5.286 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 30 50.226 5.717 -11.065 1.00 0.00 H new ATOM 0 HH21 ARG A 30 51.263 5.041 -7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 30 49.934 5.579 -8.827 1.00 0.00 H new ATOM 467 N SER A 31 54.912 -0.514 -10.761 1.00 0.00 N ATOM 468 CA SER A 31 54.891 -1.559 -9.698 1.00 0.00 C ATOM 469 C SER A 31 54.490 -0.934 -8.361 1.00 0.00 C ATOM 470 O SER A 31 54.369 0.268 -8.233 1.00 0.00 O ATOM 471 CB SER A 31 56.279 -2.185 -9.565 1.00 0.00 C ATOM 472 OG SER A 31 57.251 -1.295 -10.097 1.00 0.00 O ATOM 0 H SER A 31 54.379 -0.740 -11.601 1.00 0.00 H new ATOM 0 HA SER A 31 54.167 -2.327 -9.970 1.00 0.00 H new ATOM 0 HB2 SER A 31 56.497 -2.395 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 31 56.313 -3.137 -10.095 1.00 0.00 H new ATOM 0 HG SER A 31 57.281 -0.480 -9.553 1.00 0.00 H new ATOM 478 N ASP A 32 54.291 -1.745 -7.360 1.00 0.00 N ATOM 479 CA ASP A 32 53.908 -1.210 -6.025 1.00 0.00 C ATOM 480 C ASP A 32 54.819 -1.833 -4.968 1.00 0.00 C ATOM 481 O ASP A 32 54.834 -3.033 -4.780 1.00 0.00 O ATOM 482 CB ASP A 32 52.451 -1.569 -5.728 1.00 0.00 C ATOM 483 CG ASP A 32 51.529 -0.500 -6.321 1.00 0.00 C ATOM 484 OD1 ASP A 32 51.801 0.671 -6.114 1.00 0.00 O ATOM 485 OD2 ASP A 32 50.567 -0.872 -6.973 1.00 0.00 O ATOM 0 H ASP A 32 54.378 -2.760 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 32 54.015 -0.125 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 32 52.213 -2.545 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.296 -1.642 -4.652 1.00 0.00 H new ATOM 490 N THR A 33 55.590 -1.034 -4.285 1.00 0.00 N ATOM 491 CA THR A 33 56.507 -1.595 -3.254 1.00 0.00 C ATOM 492 C THR A 33 55.921 -1.380 -1.858 1.00 0.00 C ATOM 493 O THR A 33 55.417 -0.322 -1.538 1.00 0.00 O ATOM 494 CB THR A 33 57.866 -0.895 -3.346 1.00 0.00 C ATOM 495 OG1 THR A 33 58.528 -1.306 -4.534 1.00 0.00 O ATOM 496 CG2 THR A 33 58.717 -1.265 -2.130 1.00 0.00 C ATOM 0 H THR A 33 55.625 -0.021 -4.395 1.00 0.00 H new ATOM 0 HA THR A 33 56.629 -2.664 -3.430 1.00 0.00 H new ATOM 0 HB THR A 33 57.719 0.185 -3.367 1.00 0.00 H new ATOM 0 HG1 THR A 33 59.220 -0.652 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 33 59.684 -0.766 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.208 -0.949 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 33 58.867 -2.344 -2.106 1.00 0.00 H new ATOM 504 N TYR A 34 55.997 -2.378 -1.021 1.00 0.00 N ATOM 505 CA TYR A 34 55.464 -2.241 0.362 1.00 0.00 C ATOM 506 C TYR A 34 56.545 -2.686 1.348 1.00 0.00 C ATOM 507 O TYR A 34 57.349 -3.547 1.049 1.00 0.00 O ATOM 508 CB TYR A 34 54.223 -3.122 0.532 1.00 0.00 C ATOM 509 CG TYR A 34 53.224 -2.808 -0.555 1.00 0.00 C ATOM 510 CD1 TYR A 34 53.350 -3.402 -1.817 1.00 0.00 C ATOM 511 CD2 TYR A 34 52.169 -1.924 -0.301 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.421 -3.112 -2.824 1.00 0.00 C ATOM 513 CE2 TYR A 34 51.240 -1.634 -1.307 1.00 0.00 C ATOM 514 CZ TYR A 34 51.366 -2.227 -2.569 1.00 0.00 C ATOM 515 OH TYR A 34 50.451 -1.941 -3.561 1.00 0.00 O ATOM 0 H TYR A 34 56.407 -3.286 -1.238 1.00 0.00 H new ATOM 0 HA TYR A 34 55.188 -1.203 0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 34 54.503 -4.174 0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 34 53.775 -2.951 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 34 54.164 -4.084 -2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 34 52.072 -1.465 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 34 52.518 -3.571 -3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 34 50.426 -0.953 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 34 49.783 -1.311 -3.218 1.00 0.00 H new ATOM 525 N TYR A 35 56.581 -2.108 2.516 1.00 0.00 N ATOM 526 CA TYR A 35 57.624 -2.505 3.503 1.00 0.00 C ATOM 527 C TYR A 35 56.977 -3.248 4.674 1.00 0.00 C ATOM 528 O TYR A 35 55.938 -2.859 5.171 1.00 0.00 O ATOM 529 CB TYR A 35 58.327 -1.253 4.028 1.00 0.00 C ATOM 530 CG TYR A 35 59.290 -0.741 2.986 1.00 0.00 C ATOM 531 CD1 TYR A 35 60.365 -1.537 2.576 1.00 0.00 C ATOM 532 CD2 TYR A 35 59.111 0.533 2.434 1.00 0.00 C ATOM 533 CE1 TYR A 35 61.263 -1.060 1.614 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.008 1.010 1.472 1.00 0.00 C ATOM 535 CZ TYR A 35 61.084 0.214 1.062 1.00 0.00 C ATOM 536 OH TYR A 35 61.969 0.685 0.115 1.00 0.00 O ATOM 0 H TYR A 35 55.937 -1.382 2.829 1.00 0.00 H new ATOM 0 HA TYR A 35 58.347 -3.159 3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 35 57.592 -0.484 4.268 1.00 0.00 H new ATOM 0 HB3 TYR A 35 58.861 -1.483 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 35 60.502 -2.520 3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 35 58.281 1.147 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 35 62.093 -1.674 1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 35 59.870 1.993 1.046 1.00 0.00 H new ATOM 0 HH TYR A 35 61.909 1.662 0.068 1.00 0.00 H new ATOM 546 N GLN A 36 57.588 -4.309 5.125 1.00 0.00 N ATOM 547 CA GLN A 36 57.015 -5.072 6.271 1.00 0.00 C ATOM 548 C GLN A 36 57.981 -5.006 7.454 1.00 0.00 C ATOM 549 O GLN A 36 59.096 -5.484 7.385 1.00 0.00 O ATOM 550 CB GLN A 36 56.804 -6.533 5.867 1.00 0.00 C ATOM 551 CG GLN A 36 56.039 -7.262 6.975 1.00 0.00 C ATOM 552 CD GLN A 36 56.739 -8.583 7.300 1.00 0.00 C ATOM 553 OE1 GLN A 36 56.095 -9.597 7.479 1.00 0.00 O ATOM 554 NE2 GLN A 36 58.041 -8.614 7.387 1.00 0.00 N ATOM 0 H GLN A 36 58.460 -4.681 4.749 1.00 0.00 H new ATOM 0 HA GLN A 36 56.057 -4.636 6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 36 56.248 -6.586 4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 36 57.766 -7.017 5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 36 55.988 -6.637 7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 36 55.013 -7.451 6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 36 58.583 -7.763 7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 36 58.517 -9.489 7.605 1.00 0.00 H new ATOM 563 N SER A 37 57.563 -4.415 8.539 1.00 0.00 N ATOM 564 CA SER A 37 58.456 -4.317 9.726 1.00 0.00 C ATOM 565 C SER A 37 58.873 -5.725 10.164 1.00 0.00 C ATOM 566 O SER A 37 58.389 -6.705 9.635 1.00 0.00 O ATOM 567 CB SER A 37 57.711 -3.624 10.867 1.00 0.00 C ATOM 568 OG SER A 37 58.273 -2.336 11.082 1.00 0.00 O ATOM 0 H SER A 37 56.640 -3.995 8.654 1.00 0.00 H new ATOM 0 HA SER A 37 59.344 -3.738 9.470 1.00 0.00 H new ATOM 0 HB2 SER A 37 56.652 -3.535 10.624 1.00 0.00 H new ATOM 0 HB3 SER A 37 57.781 -4.220 11.777 1.00 0.00 H new ATOM 0 HG SER A 37 58.554 -1.955 10.224 1.00 0.00 H new ATOM 574 N PRO A 38 59.764 -5.780 11.120 1.00 0.00 N ATOM 575 CA PRO A 38 60.275 -7.053 11.657 1.00 0.00 C ATOM 576 C PRO A 38 59.265 -7.664 12.633 1.00 0.00 C ATOM 577 O PRO A 38 59.492 -8.713 13.202 1.00 0.00 O ATOM 578 CB PRO A 38 61.558 -6.646 12.384 1.00 0.00 C ATOM 579 CG PRO A 38 61.416 -5.139 12.710 1.00 0.00 C ATOM 580 CD PRO A 38 60.345 -4.580 11.754 1.00 0.00 C ATOM 0 HA PRO A 38 60.447 -7.805 10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 38 61.690 -7.230 13.295 1.00 0.00 H new ATOM 0 HB3 PRO A 38 62.433 -6.828 11.759 1.00 0.00 H new ATOM 0 HG2 PRO A 38 61.121 -4.994 13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 38 62.366 -4.622 12.573 1.00 0.00 H new ATOM 0 HD2 PRO A 38 59.589 -4.009 12.293 1.00 0.00 H new ATOM 0 HD3 PRO A 38 60.783 -3.911 11.013 1.00 0.00 H new ATOM 588 N THR A 39 58.151 -7.014 12.829 1.00 0.00 N ATOM 589 CA THR A 39 57.127 -7.556 13.765 1.00 0.00 C ATOM 590 C THR A 39 55.891 -7.989 12.972 1.00 0.00 C ATOM 591 O THR A 39 55.115 -8.811 13.415 1.00 0.00 O ATOM 592 CB THR A 39 56.734 -6.474 14.774 1.00 0.00 C ATOM 593 OG1 THR A 39 55.704 -6.968 15.618 1.00 0.00 O ATOM 594 CG2 THR A 39 56.235 -5.235 14.028 1.00 0.00 C ATOM 0 H THR A 39 57.906 -6.131 12.381 1.00 0.00 H new ATOM 0 HA THR A 39 57.537 -8.415 14.296 1.00 0.00 H new ATOM 0 HB THR A 39 57.602 -6.207 15.377 1.00 0.00 H new ATOM 0 HG1 THR A 39 55.452 -6.277 16.266 1.00 0.00 H new ATOM 0 HG21 THR A 39 55.955 -4.465 14.747 1.00 0.00 H new ATOM 0 HG22 THR A 39 57.026 -4.857 13.381 1.00 0.00 H new ATOM 0 HG23 THR A 39 55.367 -5.499 13.424 1.00 0.00 H new ATOM 602 N GLY A 40 55.704 -7.441 11.801 1.00 0.00 N ATOM 603 CA GLY A 40 54.520 -7.822 10.980 1.00 0.00 C ATOM 604 C GLY A 40 53.821 -6.562 10.466 1.00 0.00 C ATOM 605 O GLY A 40 52.853 -6.633 9.735 1.00 0.00 O ATOM 0 H GLY A 40 56.320 -6.746 11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 40 54.832 -8.444 10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 40 53.828 -8.416 11.577 1.00 0.00 H new ATOM 609 N ASP A 41 54.303 -5.408 10.839 1.00 0.00 N ATOM 610 CA ASP A 41 53.663 -4.148 10.368 1.00 0.00 C ATOM 611 C ASP A 41 53.827 -4.030 8.852 1.00 0.00 C ATOM 612 O ASP A 41 54.540 -4.795 8.233 1.00 0.00 O ATOM 613 CB ASP A 41 54.330 -2.951 11.049 1.00 0.00 C ATOM 614 CG ASP A 41 53.271 -2.122 11.779 1.00 0.00 C ATOM 615 OD1 ASP A 41 52.358 -2.715 12.330 1.00 0.00 O ATOM 616 OD2 ASP A 41 53.390 -0.908 11.774 1.00 0.00 O ATOM 0 H ASP A 41 55.111 -5.284 11.449 1.00 0.00 H new ATOM 0 HA ASP A 41 52.602 -4.163 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 41 55.087 -3.296 11.754 1.00 0.00 H new ATOM 0 HB3 ASP A 41 54.841 -2.336 10.308 1.00 0.00 H new ATOM 621 N ARG A 42 53.173 -3.077 8.249 1.00 0.00 N ATOM 622 CA ARG A 42 53.291 -2.911 6.773 1.00 0.00 C ATOM 623 C ARG A 42 52.995 -1.456 6.403 1.00 0.00 C ATOM 624 O ARG A 42 51.869 -1.005 6.470 1.00 0.00 O ATOM 625 CB ARG A 42 52.289 -3.833 6.076 1.00 0.00 C ATOM 626 CG ARG A 42 53.008 -4.655 5.004 1.00 0.00 C ATOM 627 CD ARG A 42 52.803 -6.145 5.282 1.00 0.00 C ATOM 628 NE ARG A 42 51.362 -6.406 5.555 1.00 0.00 N ATOM 629 CZ ARG A 42 50.491 -6.359 4.583 1.00 0.00 C ATOM 630 NH1 ARG A 42 50.884 -6.113 3.362 1.00 0.00 N ATOM 631 NH2 ARG A 42 49.226 -6.559 4.832 1.00 0.00 N ATOM 0 H ARG A 42 52.562 -2.406 8.714 1.00 0.00 H new ATOM 0 HA ARG A 42 54.301 -3.169 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.822 -4.496 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.491 -3.244 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.622 -4.402 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 42 54.072 -4.418 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.135 -6.734 4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.407 -6.453 6.135 1.00 0.00 H new ATOM 0 HE ARG A 42 51.055 -6.622 6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.873 -5.957 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 42 50.202 -6.077 2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 42 48.918 -6.752 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.545 -6.522 4.074 1.00 0.00 H new ATOM 645 N ILE A 43 54.000 -0.716 6.019 1.00 0.00 N ATOM 646 CA ILE A 43 53.778 0.711 5.652 1.00 0.00 C ATOM 647 C ILE A 43 53.898 0.876 4.138 1.00 0.00 C ATOM 648 O ILE A 43 54.423 0.023 3.450 1.00 0.00 O ATOM 649 CB ILE A 43 54.828 1.581 6.343 1.00 0.00 C ATOM 650 CG1 ILE A 43 54.799 1.315 7.849 1.00 0.00 C ATOM 651 CG2 ILE A 43 54.522 3.056 6.082 1.00 0.00 C ATOM 652 CD1 ILE A 43 56.142 0.731 8.290 1.00 0.00 C ATOM 0 H ILE A 43 54.965 -1.038 5.944 1.00 0.00 H new ATOM 0 HA ILE A 43 52.782 1.017 5.971 1.00 0.00 H new ATOM 0 HB ILE A 43 55.815 1.339 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 43 54.598 2.240 8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 43 53.992 0.623 8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 43 55.271 3.676 6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 43 54.542 3.247 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 43 53.535 3.298 6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 43 56.122 0.541 9.363 1.00 0.00 H new ATOM 0 HD12 ILE A 43 56.324 -0.204 7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 43 56.939 1.439 8.062 1.00 0.00 H new ATOM 664 N ARG A 44 53.414 1.967 3.613 1.00 0.00 N ATOM 665 CA ARG A 44 53.501 2.183 2.144 1.00 0.00 C ATOM 666 C ARG A 44 54.067 3.576 1.856 1.00 0.00 C ATOM 667 O ARG A 44 54.758 3.781 0.877 1.00 0.00 O ATOM 668 CB ARG A 44 52.108 2.063 1.528 1.00 0.00 C ATOM 669 CG ARG A 44 52.227 1.452 0.134 1.00 0.00 C ATOM 670 CD ARG A 44 50.965 1.765 -0.671 1.00 0.00 C ATOM 671 NE ARG A 44 50.647 3.215 -0.545 1.00 0.00 N ATOM 672 CZ ARG A 44 49.461 3.655 -0.868 1.00 0.00 C ATOM 673 NH1 ARG A 44 49.104 3.713 -2.122 1.00 0.00 N ATOM 674 NH2 ARG A 44 48.633 4.040 0.064 1.00 0.00 N ATOM 0 H ARG A 44 52.963 2.717 4.137 1.00 0.00 H new ATOM 0 HA ARG A 44 54.159 1.431 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 44 51.471 1.441 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 44 51.637 3.044 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 44 53.104 1.851 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 44 52.365 0.373 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 44 51.114 1.503 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 44 50.130 1.165 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 44 51.357 3.865 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 44 49.752 3.414 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 44 48.177 4.057 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 44 48.913 3.997 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 44 47.706 4.384 -0.187 1.00 0.00 H new ATOM 688 N SER A 45 53.788 4.536 2.697 1.00 0.00 N ATOM 689 CA SER A 45 54.321 5.906 2.458 1.00 0.00 C ATOM 690 C SER A 45 55.838 5.885 2.640 1.00 0.00 C ATOM 691 O SER A 45 56.376 5.074 3.367 1.00 0.00 O ATOM 692 CB SER A 45 53.689 6.887 3.443 1.00 0.00 C ATOM 693 OG SER A 45 52.756 7.709 2.754 1.00 0.00 O ATOM 0 H SER A 45 53.216 4.430 3.535 1.00 0.00 H new ATOM 0 HA SER A 45 54.079 6.225 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 45 53.190 6.344 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 45 54.460 7.502 3.907 1.00 0.00 H new ATOM 0 HG SER A 45 52.347 8.339 3.384 1.00 0.00 H new ATOM 699 N LYS A 46 56.534 6.755 1.966 1.00 0.00 N ATOM 700 CA LYS A 46 58.019 6.769 2.074 1.00 0.00 C ATOM 701 C LYS A 46 58.469 7.274 3.447 1.00 0.00 C ATOM 702 O LYS A 46 59.020 6.533 4.237 1.00 0.00 O ATOM 703 CB LYS A 46 58.589 7.680 0.986 1.00 0.00 C ATOM 704 CG LYS A 46 60.086 7.886 1.221 1.00 0.00 C ATOM 705 CD LYS A 46 60.689 8.627 0.026 1.00 0.00 C ATOM 706 CE LYS A 46 60.234 10.088 0.048 1.00 0.00 C ATOM 707 NZ LYS A 46 58.856 10.190 -0.510 1.00 0.00 N ATOM 0 H LYS A 46 56.138 7.459 1.343 1.00 0.00 H new ATOM 0 HA LYS A 46 58.386 5.751 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 46 58.422 7.238 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 46 58.074 8.640 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 46 60.247 8.456 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 46 60.581 6.924 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 46 61.777 8.573 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 46 60.378 8.152 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.253 10.470 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 46 60.920 10.702 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 58.821 10.959 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 58.600 9.292 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 58.184 10.390 0.258 1.00 0.00 H new ATOM 721 N VAL A 47 58.268 8.529 3.731 1.00 0.00 N ATOM 722 CA VAL A 47 58.721 9.070 5.045 1.00 0.00 C ATOM 723 C VAL A 47 57.835 8.548 6.180 1.00 0.00 C ATOM 724 O VAL A 47 58.220 8.581 7.332 1.00 0.00 O ATOM 725 CB VAL A 47 58.674 10.597 5.014 1.00 0.00 C ATOM 726 CG1 VAL A 47 58.911 11.142 6.423 1.00 0.00 C ATOM 727 CG2 VAL A 47 59.769 11.117 4.071 1.00 0.00 C ATOM 0 H VAL A 47 57.812 9.202 3.115 1.00 0.00 H new ATOM 0 HA VAL A 47 59.744 8.739 5.224 1.00 0.00 H new ATOM 0 HB VAL A 47 57.698 10.927 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 47 58.878 12.231 6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 47 58.137 10.768 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.888 10.816 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 47 59.740 12.206 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 47 60.744 10.789 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 47 59.601 10.726 3.068 1.00 0.00 H new ATOM 737 N GLU A 48 56.659 8.060 5.884 1.00 0.00 N ATOM 738 CA GLU A 48 55.792 7.542 6.981 1.00 0.00 C ATOM 739 C GLU A 48 56.376 6.227 7.488 1.00 0.00 C ATOM 740 O GLU A 48 56.456 5.991 8.677 1.00 0.00 O ATOM 741 CB GLU A 48 54.374 7.311 6.470 1.00 0.00 C ATOM 742 CG GLU A 48 53.745 8.656 6.104 1.00 0.00 C ATOM 743 CD GLU A 48 52.328 8.734 6.674 1.00 0.00 C ATOM 744 OE1 GLU A 48 51.929 7.800 7.351 1.00 0.00 O ATOM 745 OE2 GLU A 48 51.665 9.728 6.426 1.00 0.00 O ATOM 0 H GLU A 48 56.266 7.998 4.945 1.00 0.00 H new ATOM 0 HA GLU A 48 55.754 8.272 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 48 54.391 6.655 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 48 53.776 6.812 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 48 54.351 9.471 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 48 53.719 8.773 5.021 1.00 0.00 H new ATOM 752 N LEU A 49 56.810 5.374 6.602 1.00 0.00 N ATOM 753 CA LEU A 49 57.415 4.098 7.061 1.00 0.00 C ATOM 754 C LEU A 49 58.751 4.444 7.719 1.00 0.00 C ATOM 755 O LEU A 49 59.242 3.748 8.587 1.00 0.00 O ATOM 756 CB LEU A 49 57.623 3.161 5.866 1.00 0.00 C ATOM 757 CG LEU A 49 58.858 3.585 5.071 1.00 0.00 C ATOM 758 CD1 LEU A 49 60.047 2.709 5.470 1.00 0.00 C ATOM 759 CD2 LEU A 49 58.578 3.413 3.577 1.00 0.00 C ATOM 0 H LEU A 49 56.772 5.505 5.591 1.00 0.00 H new ATOM 0 HA LEU A 49 56.765 3.586 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 49 57.741 2.135 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 49 56.743 3.180 5.223 1.00 0.00 H new ATOM 0 HG LEU A 49 59.090 4.629 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 49 60.928 3.011 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 49 60.244 2.826 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 49 59.818 1.665 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 49 59.456 3.714 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 49 58.349 2.368 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 49 57.729 4.034 3.292 1.00 0.00 H new ATOM 771 N THR A 50 59.322 5.546 7.314 1.00 0.00 N ATOM 772 CA THR A 50 60.610 5.994 7.907 1.00 0.00 C ATOM 773 C THR A 50 60.358 6.455 9.340 1.00 0.00 C ATOM 774 O THR A 50 60.868 5.888 10.286 1.00 0.00 O ATOM 775 CB THR A 50 61.154 7.168 7.093 1.00 0.00 C ATOM 776 OG1 THR A 50 61.141 6.835 5.712 1.00 0.00 O ATOM 777 CG2 THR A 50 62.583 7.484 7.535 1.00 0.00 C ATOM 0 H THR A 50 58.946 6.159 6.591 1.00 0.00 H new ATOM 0 HA THR A 50 61.329 5.175 7.899 1.00 0.00 H new ATOM 0 HB THR A 50 60.527 8.044 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 50 60.217 6.828 5.386 1.00 0.00 H new ATOM 0 HG21 THR A 50 62.967 8.321 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 50 62.587 7.746 8.593 1.00 0.00 H new ATOM 0 HG23 THR A 50 63.215 6.610 7.375 1.00 0.00 H new ATOM 785 N ARG A 51 59.565 7.479 9.508 1.00 0.00 N ATOM 786 CA ARG A 51 59.273 7.966 10.883 1.00 0.00 C ATOM 787 C ARG A 51 58.828 6.780 11.738 1.00 0.00 C ATOM 788 O ARG A 51 58.928 6.800 12.949 1.00 0.00 O ATOM 789 CB ARG A 51 58.164 9.024 10.840 1.00 0.00 C ATOM 790 CG ARG A 51 57.161 8.690 9.731 1.00 0.00 C ATOM 791 CD ARG A 51 55.750 8.635 10.322 1.00 0.00 C ATOM 792 NE ARG A 51 55.033 9.905 10.015 1.00 0.00 N ATOM 793 CZ ARG A 51 53.856 10.131 10.532 1.00 0.00 C ATOM 794 NH1 ARG A 51 53.753 10.606 11.743 1.00 0.00 N ATOM 795 NH2 ARG A 51 52.780 9.881 9.837 1.00 0.00 N ATOM 0 H ARG A 51 59.110 7.996 8.756 1.00 0.00 H new ATOM 0 HA ARG A 51 60.167 8.418 11.312 1.00 0.00 H new ATOM 0 HB2 ARG A 51 57.654 9.066 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 51 58.597 10.009 10.665 1.00 0.00 H new ATOM 0 HG2 ARG A 51 57.208 9.442 8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 51 57.413 7.733 9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 51 55.204 7.787 9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 51 55.801 8.485 11.400 1.00 0.00 H new ATOM 0 HE ARG A 51 55.462 10.597 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 51 54.593 10.801 12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 51 52.832 10.782 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 51 52.859 9.509 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 51 51.860 10.057 10.240 1.00 0.00 H new ATOM 809 N TYR A 52 58.347 5.739 11.112 1.00 0.00 N ATOM 810 CA TYR A 52 57.907 4.541 11.879 1.00 0.00 C ATOM 811 C TYR A 52 59.119 3.931 12.584 1.00 0.00 C ATOM 812 O TYR A 52 59.133 3.769 13.788 1.00 0.00 O ATOM 813 CB TYR A 52 57.301 3.514 10.919 1.00 0.00 C ATOM 814 CG TYR A 52 56.803 2.319 11.697 1.00 0.00 C ATOM 815 CD1 TYR A 52 57.669 1.254 11.977 1.00 0.00 C ATOM 816 CD2 TYR A 52 55.474 2.274 12.133 1.00 0.00 C ATOM 817 CE1 TYR A 52 57.205 0.146 12.696 1.00 0.00 C ATOM 818 CE2 TYR A 52 55.010 1.165 12.851 1.00 0.00 C ATOM 819 CZ TYR A 52 55.875 0.101 13.132 1.00 0.00 C ATOM 820 OH TYR A 52 55.418 -0.991 13.840 1.00 0.00 O ATOM 0 H TYR A 52 58.240 5.668 10.100 1.00 0.00 H new ATOM 0 HA TYR A 52 57.157 4.828 12.616 1.00 0.00 H new ATOM 0 HB2 TYR A 52 56.480 3.964 10.361 1.00 0.00 H new ATOM 0 HB3 TYR A 52 58.047 3.199 10.190 1.00 0.00 H new ATOM 0 HD1 TYR A 52 58.694 1.288 11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 52 54.806 3.095 11.916 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.873 -0.674 12.914 1.00 0.00 H new ATOM 0 HE2 TYR A 52 53.985 1.131 13.188 1.00 0.00 H new ATOM 0 HH TYR A 52 54.473 -0.862 14.067 1.00 0.00 H new ATOM 830 N LEU A 53 60.142 3.595 11.844 1.00 0.00 N ATOM 831 CA LEU A 53 61.353 3.002 12.480 1.00 0.00 C ATOM 832 C LEU A 53 61.956 4.014 13.456 1.00 0.00 C ATOM 833 O LEU A 53 62.249 3.698 14.592 1.00 0.00 O ATOM 834 CB LEU A 53 62.386 2.657 11.405 1.00 0.00 C ATOM 835 CG LEU A 53 61.679 2.092 10.173 1.00 0.00 C ATOM 836 CD1 LEU A 53 61.725 3.121 9.042 1.00 0.00 C ATOM 837 CD2 LEU A 53 62.387 0.811 9.725 1.00 0.00 C ATOM 0 H LEU A 53 60.191 3.705 10.831 1.00 0.00 H new ATOM 0 HA LEU A 53 61.073 2.094 13.015 1.00 0.00 H new ATOM 0 HB2 LEU A 53 62.954 3.547 11.134 1.00 0.00 H new ATOM 0 HB3 LEU A 53 63.099 1.929 11.793 1.00 0.00 H new ATOM 0 HG LEU A 53 60.641 1.869 10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 53 61.221 2.719 8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 61.224 4.035 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 53 62.763 3.344 8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 53 61.885 0.406 8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 63.425 1.036 9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 53 62.356 0.078 10.531 1.00 0.00 H new ATOM 849 N GLY A 54 62.145 5.230 13.021 1.00 0.00 N ATOM 850 CA GLY A 54 62.730 6.264 13.922 1.00 0.00 C ATOM 851 C GLY A 54 63.874 6.980 13.201 1.00 0.00 C ATOM 852 O GLY A 54 63.917 7.009 11.987 1.00 0.00 O ATOM 0 H GLY A 54 61.919 5.552 12.080 1.00 0.00 H new ATOM 0 HA2 GLY A 54 61.964 6.982 14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.097 5.799 14.837 1.00 0.00 H new ATOM 856 N PRO A 55 64.771 7.536 13.976 1.00 0.00 N ATOM 857 CA PRO A 55 65.937 8.262 13.444 1.00 0.00 C ATOM 858 C PRO A 55 67.004 7.273 12.967 1.00 0.00 C ATOM 859 O PRO A 55 68.076 7.657 12.543 1.00 0.00 O ATOM 860 CB PRO A 55 66.435 9.070 14.646 1.00 0.00 C ATOM 861 CG PRO A 55 65.901 8.349 15.908 1.00 0.00 C ATOM 862 CD PRO A 55 64.706 7.491 15.451 1.00 0.00 C ATOM 0 HA PRO A 55 65.700 8.891 12.586 1.00 0.00 H new ATOM 0 HB2 PRO A 55 67.524 9.118 14.658 1.00 0.00 H new ATOM 0 HB3 PRO A 55 66.071 10.096 14.602 1.00 0.00 H new ATOM 0 HG2 PRO A 55 66.676 7.727 16.356 1.00 0.00 H new ATOM 0 HG3 PRO A 55 65.593 9.070 16.665 1.00 0.00 H new ATOM 0 HD2 PRO A 55 64.784 6.469 15.822 1.00 0.00 H new ATOM 0 HD3 PRO A 55 63.763 7.893 15.821 1.00 0.00 H new ATOM 870 N ALA A 56 66.714 6.003 13.030 1.00 0.00 N ATOM 871 CA ALA A 56 67.706 4.989 12.578 1.00 0.00 C ATOM 872 C ALA A 56 67.531 4.743 11.078 1.00 0.00 C ATOM 873 O ALA A 56 68.365 4.136 10.437 1.00 0.00 O ATOM 874 CB ALA A 56 67.477 3.681 13.339 1.00 0.00 C ATOM 0 H ALA A 56 65.832 5.624 13.375 1.00 0.00 H new ATOM 0 HA ALA A 56 68.715 5.352 12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 56 68.202 2.937 13.010 1.00 0.00 H new ATOM 0 HB2 ALA A 56 67.597 3.856 14.408 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.469 3.317 13.142 1.00 0.00 H new ATOM 880 N CYS A 57 66.450 5.209 10.513 1.00 0.00 N ATOM 881 CA CYS A 57 66.221 4.998 9.056 1.00 0.00 C ATOM 882 C CYS A 57 65.646 6.273 8.434 1.00 0.00 C ATOM 883 O CYS A 57 64.709 6.855 8.943 1.00 0.00 O ATOM 884 CB CYS A 57 65.235 3.846 8.857 1.00 0.00 C ATOM 885 SG CYS A 57 66.081 2.272 9.145 1.00 0.00 S ATOM 0 H CYS A 57 65.716 5.726 10.998 1.00 0.00 H new ATOM 0 HA CYS A 57 67.168 4.756 8.574 1.00 0.00 H new ATOM 0 HB2 CYS A 57 64.394 3.950 9.543 1.00 0.00 H new ATOM 0 HB3 CYS A 57 64.827 3.872 7.846 1.00 0.00 H new ATOM 0 HG CYS A 57 67.240 2.496 9.689 1.00 0.00 H new ATOM 891 N ASP A 58 66.198 6.709 7.336 1.00 0.00 N ATOM 892 CA ASP A 58 65.680 7.943 6.682 1.00 0.00 C ATOM 893 C ASP A 58 65.304 7.632 5.230 1.00 0.00 C ATOM 894 O ASP A 58 65.817 6.707 4.631 1.00 0.00 O ATOM 895 CB ASP A 58 66.758 9.029 6.716 1.00 0.00 C ATOM 896 CG ASP A 58 66.142 10.375 6.332 1.00 0.00 C ATOM 897 OD1 ASP A 58 65.924 10.590 5.152 1.00 0.00 O ATOM 898 OD2 ASP A 58 65.898 11.169 7.227 1.00 0.00 O ATOM 0 H ASP A 58 66.985 6.264 6.863 1.00 0.00 H new ATOM 0 HA ASP A 58 64.797 8.295 7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.197 9.089 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.564 8.777 6.027 1.00 0.00 H new ATOM 903 N LEU A 59 64.408 8.392 4.661 1.00 0.00 N ATOM 904 CA LEU A 59 63.995 8.135 3.254 1.00 0.00 C ATOM 905 C LEU A 59 63.621 9.453 2.581 1.00 0.00 C ATOM 906 O LEU A 59 63.002 9.475 1.535 1.00 0.00 O ATOM 907 CB LEU A 59 62.784 7.207 3.250 1.00 0.00 C ATOM 908 CG LEU A 59 63.246 5.778 3.516 1.00 0.00 C ATOM 909 CD1 LEU A 59 63.311 5.535 5.024 1.00 0.00 C ATOM 910 CD2 LEU A 59 62.258 4.800 2.881 1.00 0.00 C ATOM 0 H LEU A 59 63.944 9.181 5.112 1.00 0.00 H new ATOM 0 HA LEU A 59 64.819 7.672 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 59 62.070 7.519 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 59 62.271 7.263 2.290 1.00 0.00 H new ATOM 0 HG LEU A 59 64.235 5.627 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 59 63.641 4.514 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 59 64.015 6.234 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.323 5.684 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.586 3.778 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 59 61.269 4.950 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.214 4.974 1.806 1.00 0.00 H new ATOM 922 N THR A 60 63.989 10.553 3.170 1.00 0.00 N ATOM 923 CA THR A 60 63.654 11.867 2.563 1.00 0.00 C ATOM 924 C THR A 60 63.975 11.835 1.068 1.00 0.00 C ATOM 925 O THR A 60 63.269 12.404 0.258 1.00 0.00 O ATOM 926 CB THR A 60 64.482 12.960 3.240 1.00 0.00 C ATOM 927 OG1 THR A 60 64.408 12.805 4.650 1.00 0.00 O ATOM 928 CG2 THR A 60 63.933 14.329 2.846 1.00 0.00 C ATOM 0 H THR A 60 64.508 10.599 4.047 1.00 0.00 H new ATOM 0 HA THR A 60 62.593 12.074 2.700 1.00 0.00 H new ATOM 0 HB THR A 60 65.521 12.881 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 60 65.112 12.192 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 60 64.522 15.110 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 60 63.991 14.446 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 60 62.894 14.410 3.165 1.00 0.00 H new ATOM 936 N LEU A 61 65.043 11.183 0.695 1.00 0.00 N ATOM 937 CA LEU A 61 65.420 11.124 -0.746 1.00 0.00 C ATOM 938 C LEU A 61 65.271 9.694 -1.260 1.00 0.00 C ATOM 939 O LEU A 61 65.715 9.362 -2.340 1.00 0.00 O ATOM 940 CB LEU A 61 66.878 11.564 -0.897 1.00 0.00 C ATOM 941 CG LEU A 61 66.979 13.093 -0.801 1.00 0.00 C ATOM 942 CD1 LEU A 61 66.622 13.710 -2.153 1.00 0.00 C ATOM 943 CD2 LEU A 61 66.013 13.624 0.268 1.00 0.00 C ATOM 0 H LEU A 61 65.672 10.688 1.327 1.00 0.00 H new ATOM 0 HA LEU A 61 64.769 11.783 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 61 67.488 11.102 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 61 67.271 11.225 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 61 67.998 13.363 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 61 66.693 14.796 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 61 67.314 13.346 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 61 65.604 13.429 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 61 66.095 14.709 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 61 64.992 13.351 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 61 66.266 13.189 1.235 1.00 0.00 H new ATOM 955 N PHE A 62 64.658 8.844 -0.491 1.00 0.00 N ATOM 956 CA PHE A 62 64.490 7.432 -0.928 1.00 0.00 C ATOM 957 C PHE A 62 63.505 7.351 -2.096 1.00 0.00 C ATOM 958 O PHE A 62 62.602 8.153 -2.223 1.00 0.00 O ATOM 959 CB PHE A 62 63.958 6.601 0.238 1.00 0.00 C ATOM 960 CG PHE A 62 63.550 5.240 -0.268 1.00 0.00 C ATOM 961 CD1 PHE A 62 64.524 4.344 -0.716 1.00 0.00 C ATOM 962 CD2 PHE A 62 62.198 4.881 -0.298 1.00 0.00 C ATOM 963 CE1 PHE A 62 64.148 3.087 -1.198 1.00 0.00 C ATOM 964 CE2 PHE A 62 61.821 3.622 -0.777 1.00 0.00 C ATOM 965 CZ PHE A 62 62.796 2.725 -1.228 1.00 0.00 C ATOM 0 H PHE A 62 64.265 9.065 0.424 1.00 0.00 H new ATOM 0 HA PHE A 62 65.456 7.045 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 62 64.723 6.502 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 62 63.106 7.102 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 62 65.567 4.623 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 62 61.446 5.575 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 62 64.900 2.395 -1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 62 60.778 3.342 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 62 62.505 1.753 -1.599 1.00 0.00 H new ATOM 975 N ASP A 63 63.672 6.370 -2.941 1.00 0.00 N ATOM 976 CA ASP A 63 62.749 6.206 -4.098 1.00 0.00 C ATOM 977 C ASP A 63 61.840 5.005 -3.834 1.00 0.00 C ATOM 978 O ASP A 63 62.265 3.869 -3.897 1.00 0.00 O ATOM 979 CB ASP A 63 63.562 5.961 -5.371 1.00 0.00 C ATOM 980 CG ASP A 63 64.176 7.279 -5.848 1.00 0.00 C ATOM 981 OD1 ASP A 63 64.611 8.047 -5.006 1.00 0.00 O ATOM 982 OD2 ASP A 63 64.202 7.497 -7.048 1.00 0.00 O ATOM 0 H ASP A 63 64.413 5.672 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 63 62.149 7.107 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 63 64.348 5.231 -5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 63 62.922 5.543 -6.149 1.00 0.00 H new ATOM 987 N PHE A 64 60.598 5.244 -3.524 1.00 0.00 N ATOM 988 CA PHE A 64 59.674 4.112 -3.240 1.00 0.00 C ATOM 989 C PHE A 64 59.363 3.365 -4.540 1.00 0.00 C ATOM 990 O PHE A 64 58.227 3.278 -4.961 1.00 0.00 O ATOM 991 CB PHE A 64 58.377 4.657 -2.640 1.00 0.00 C ATOM 992 CG PHE A 64 57.935 3.767 -1.503 1.00 0.00 C ATOM 993 CD1 PHE A 64 57.747 2.396 -1.714 1.00 0.00 C ATOM 994 CD2 PHE A 64 57.718 4.317 -0.234 1.00 0.00 C ATOM 995 CE1 PHE A 64 57.340 1.576 -0.653 1.00 0.00 C ATOM 996 CE2 PHE A 64 57.312 3.496 0.824 1.00 0.00 C ATOM 997 CZ PHE A 64 57.123 2.126 0.615 1.00 0.00 C ATOM 0 H PHE A 64 60.183 6.173 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 64 60.143 3.426 -2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 64 58.529 5.675 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 64 57.601 4.701 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 64 57.915 1.971 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 64 57.864 5.375 -0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 64 57.194 0.518 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 64 57.144 3.921 1.803 1.00 0.00 H new ATOM 0 HZ PHE A 64 56.810 1.493 1.432 1.00 0.00 H new ATOM 1007 N LYS A 65 60.365 2.822 -5.179 1.00 0.00 N ATOM 1008 CA LYS A 65 60.124 2.080 -6.450 1.00 0.00 C ATOM 1009 C LYS A 65 61.442 1.489 -6.957 1.00 0.00 C ATOM 1010 O LYS A 65 61.473 0.414 -7.524 1.00 0.00 O ATOM 1011 CB LYS A 65 59.557 3.035 -7.502 1.00 0.00 C ATOM 1012 CG LYS A 65 59.303 2.270 -8.802 1.00 0.00 C ATOM 1013 CD LYS A 65 58.318 3.052 -9.672 1.00 0.00 C ATOM 1014 CE LYS A 65 59.093 3.914 -10.672 1.00 0.00 C ATOM 1015 NZ LYS A 65 58.219 5.020 -11.154 1.00 0.00 N ATOM 0 H LYS A 65 61.338 2.860 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 65 59.411 1.276 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 65 58.629 3.480 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 65 60.255 3.853 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 65 60.240 2.123 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 65 58.903 1.280 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 65 57.659 2.364 -10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 65 57.685 3.682 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 65 59.987 4.322 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 65 59.425 3.305 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 58.744 5.607 -11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 57.378 4.621 -11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 57.923 5.606 -10.347 1.00 0.00 H new ATOM 1029 N GLN A 66 62.530 2.181 -6.760 1.00 0.00 N ATOM 1030 CA GLN A 66 63.842 1.655 -7.235 1.00 0.00 C ATOM 1031 C GLN A 66 64.607 1.050 -6.057 1.00 0.00 C ATOM 1032 O GLN A 66 65.371 0.118 -6.214 1.00 0.00 O ATOM 1033 CB GLN A 66 64.660 2.796 -7.842 1.00 0.00 C ATOM 1034 CG GLN A 66 64.122 3.123 -9.236 1.00 0.00 C ATOM 1035 CD GLN A 66 65.186 3.881 -10.030 1.00 0.00 C ATOM 1036 OE1 GLN A 66 66.178 3.310 -10.437 1.00 0.00 O ATOM 1037 NE2 GLN A 66 65.020 5.153 -10.271 1.00 0.00 N ATOM 0 H GLN A 66 62.568 3.086 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 66 63.673 0.888 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 66 64.605 3.677 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 66 65.711 2.512 -7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 66 63.850 2.205 -9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 66 63.216 3.724 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 66 64.187 5.632 -9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 66 65.723 5.668 -10.801 1.00 0.00 H new ATOM 1046 N GLY A 67 64.408 1.570 -4.878 1.00 0.00 N ATOM 1047 CA GLY A 67 65.125 1.022 -3.693 1.00 0.00 C ATOM 1048 C GLY A 67 66.440 1.779 -3.493 1.00 0.00 C ATOM 1049 O GLY A 67 67.456 1.199 -3.166 1.00 0.00 O ATOM 0 H GLY A 67 63.780 2.350 -4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 67 64.502 1.114 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 67 65.323 -0.040 -3.835 1.00 0.00 H new ATOM 1053 N ILE A 68 66.432 3.071 -3.689 1.00 0.00 N ATOM 1054 CA ILE A 68 67.688 3.855 -3.511 1.00 0.00 C ATOM 1055 C ILE A 68 67.379 5.189 -2.826 1.00 0.00 C ATOM 1056 O ILE A 68 66.249 5.477 -2.483 1.00 0.00 O ATOM 1057 CB ILE A 68 68.322 4.120 -4.879 1.00 0.00 C ATOM 1058 CG1 ILE A 68 67.249 4.610 -5.855 1.00 0.00 C ATOM 1059 CG2 ILE A 68 68.942 2.829 -5.415 1.00 0.00 C ATOM 1060 CD1 ILE A 68 67.201 6.138 -5.837 1.00 0.00 C ATOM 0 H ILE A 68 65.614 3.615 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 68 68.380 3.286 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 68 69.096 4.881 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 68 67.469 4.255 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 68 66.277 4.202 -5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 68 69.393 3.019 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 68 69.708 2.478 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 68 68.168 2.068 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 68 66.437 6.486 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 68 66.961 6.483 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 68 68.171 6.536 -6.135 1.00 0.00 H new ATOM 1072 N LEU A 69 68.379 6.004 -2.624 1.00 0.00 N ATOM 1073 CA LEU A 69 68.159 7.319 -1.963 1.00 0.00 C ATOM 1074 C LEU A 69 69.450 8.134 -2.035 1.00 0.00 C ATOM 1075 O LEU A 69 70.425 7.718 -2.629 1.00 0.00 O ATOM 1076 CB LEU A 69 67.780 7.099 -0.497 1.00 0.00 C ATOM 1077 CG LEU A 69 68.976 6.517 0.257 1.00 0.00 C ATOM 1078 CD1 LEU A 69 69.375 7.460 1.392 1.00 0.00 C ATOM 1079 CD2 LEU A 69 68.592 5.158 0.839 1.00 0.00 C ATOM 0 H LEU A 69 69.345 5.812 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 69 67.354 7.853 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 69 67.475 8.042 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.929 6.422 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 69 69.816 6.400 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.228 7.044 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.645 8.432 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 68.537 7.578 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 69 69.442 4.739 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 69 67.753 5.279 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 69 68.307 4.484 0.031 1.00 0.00 H new ATOM 1091 N CYS A 70 69.469 9.289 -1.433 1.00 0.00 N ATOM 1092 CA CYS A 70 70.702 10.121 -1.467 1.00 0.00 C ATOM 1093 C CYS A 70 70.656 11.141 -0.329 1.00 0.00 C ATOM 1094 O CYS A 70 69.639 11.326 0.309 1.00 0.00 O ATOM 1095 CB CYS A 70 70.792 10.853 -2.808 1.00 0.00 C ATOM 1096 SG CYS A 70 69.411 12.012 -2.957 1.00 0.00 S ATOM 0 H CYS A 70 68.685 9.692 -0.920 1.00 0.00 H new ATOM 0 HA CYS A 70 71.576 9.481 -1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 70 71.739 11.388 -2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 70 70.769 10.136 -3.628 1.00 0.00 H new ATOM 0 HG CYS A 70 69.489 12.636 -4.095 1.00 0.00 H new ATOM 1102 N TYR A 71 71.748 11.804 -0.068 1.00 0.00 N ATOM 1103 CA TYR A 71 71.759 12.808 1.032 1.00 0.00 C ATOM 1104 C TYR A 71 72.616 14.010 0.625 1.00 0.00 C ATOM 1105 O TYR A 71 73.745 14.138 1.055 1.00 0.00 O ATOM 1106 CB TYR A 71 72.338 12.172 2.296 1.00 0.00 C ATOM 1107 CG TYR A 71 71.315 12.241 3.403 1.00 0.00 C ATOM 1108 CD1 TYR A 71 70.571 13.412 3.595 1.00 0.00 C ATOM 1109 CD2 TYR A 71 71.108 11.136 4.238 1.00 0.00 C ATOM 1110 CE1 TYR A 71 69.620 13.477 4.621 1.00 0.00 C ATOM 1111 CE2 TYR A 71 70.157 11.201 5.264 1.00 0.00 C ATOM 1112 CZ TYR A 71 69.413 12.372 5.456 1.00 0.00 C ATOM 1113 OH TYR A 71 68.476 12.435 6.467 1.00 0.00 O ATOM 0 H TYR A 71 72.631 11.695 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 71 70.740 13.142 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 71 72.612 11.135 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 71 73.249 12.692 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 71 70.731 14.265 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 71 71.682 10.233 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 71 69.046 14.380 4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 71 69.997 10.348 5.907 1.00 0.00 H new ATOM 0 HH TYR A 71 67.753 13.043 6.206 1.00 0.00 H new ATOM 1123 N PRO A 72 72.046 14.859 -0.192 1.00 0.00 N ATOM 1124 CA PRO A 72 72.726 16.072 -0.678 1.00 0.00 C ATOM 1125 C PRO A 72 72.710 17.153 0.406 1.00 0.00 C ATOM 1126 O PRO A 72 72.367 16.898 1.543 1.00 0.00 O ATOM 1127 CB PRO A 72 71.886 16.494 -1.887 1.00 0.00 C ATOM 1128 CG PRO A 72 70.488 15.859 -1.690 1.00 0.00 C ATOM 1129 CD PRO A 72 70.671 14.689 -0.705 1.00 0.00 C ATOM 0 HA PRO A 72 73.773 15.910 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 72 71.814 17.580 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 72 72.342 16.150 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 72 69.782 16.590 -1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 72 70.085 15.507 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 72 69.938 14.728 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 72 70.547 13.727 -1.202 1.00 0.00 H new ATOM 1137 N ALA A 73 73.077 18.357 0.066 1.00 0.00 N ATOM 1138 CA ALA A 73 73.077 19.445 1.084 1.00 0.00 C ATOM 1139 C ALA A 73 73.227 20.800 0.386 1.00 0.00 C ATOM 1140 O ALA A 73 74.317 21.329 0.289 1.00 0.00 O ATOM 1141 CB ALA A 73 74.242 19.237 2.052 1.00 0.00 C ATOM 0 H ALA A 73 73.376 18.634 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 73 72.138 19.425 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 73 74.243 20.033 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 73 74.134 18.274 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 73 75.182 19.256 1.500 1.00 0.00 H new ATOM 1147 N PRO A 74 72.120 21.320 -0.080 1.00 0.00 N ATOM 1148 CA PRO A 74 72.082 22.617 -0.777 1.00 0.00 C ATOM 1149 C PRO A 74 72.137 23.765 0.235 1.00 0.00 C ATOM 1150 O PRO A 74 71.159 24.083 0.882 1.00 0.00 O ATOM 1151 CB PRO A 74 70.735 22.592 -1.505 1.00 0.00 C ATOM 1152 CG PRO A 74 69.849 21.573 -0.748 1.00 0.00 C ATOM 1153 CD PRO A 74 70.803 20.662 0.045 1.00 0.00 C ATOM 0 HA PRO A 74 72.923 22.768 -1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 74 70.276 23.581 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.862 22.298 -2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 74 69.156 22.084 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.247 20.990 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.498 20.577 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 74 70.822 19.652 -0.365 1.00 0.00 H new ATOM 1161 N LYS A 75 73.275 24.388 0.378 1.00 0.00 N ATOM 1162 CA LYS A 75 73.391 25.512 1.349 1.00 0.00 C ATOM 1163 C LYS A 75 72.813 25.080 2.698 1.00 0.00 C ATOM 1164 O LYS A 75 72.399 25.948 3.449 1.00 0.00 O ATOM 1165 CB LYS A 75 72.613 26.722 0.825 1.00 0.00 C ATOM 1166 CG LYS A 75 73.594 27.829 0.431 1.00 0.00 C ATOM 1167 CD LYS A 75 72.938 28.752 -0.597 1.00 0.00 C ATOM 1168 CE LYS A 75 73.829 29.974 -0.827 1.00 0.00 C ATOM 1169 NZ LYS A 75 73.031 31.215 -0.618 1.00 0.00 N ATOM 1170 OXT LYS A 75 72.794 23.888 2.958 1.00 0.00 O ATOM 0 H LYS A 75 74.128 24.167 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 75 74.440 25.780 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 75 72.009 26.434 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 75 71.927 27.085 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 75 73.888 28.399 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 75 74.503 27.393 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 75 72.785 28.219 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 75 71.955 29.066 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 75 74.677 29.954 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 75 74.236 29.956 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 73.635 32.047 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 72.236 31.234 -1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 72.664 31.232 0.355 1.00 0.00 H new TER 1184 LYS A 75