USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=20 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 Set 1.1: A 39 THR OG1 : rot -144:sc= 0.196 USER MOD Set 1.2: A 52 TYR OH : rot 15:sc= 0.19 USER MOD Set 2.1: A 36 GLN : amide:sc= -5.57 K(o=-8.9,f=-17!) USER MOD Set 2.2: A 37 SER OG : rot -90:sc= -3.29! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.0089 (180deg=0) USER MOD Single : A 8 CYS SG : rot 106:sc= -5.68! USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.186 (180deg=-1.25!) 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 -53:sc= 1.02 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -151:sc= 0.469 USER MOD Single : A 33 THR OG1 : rot 89:sc= -2.59! USER MOD Single : A 34 TYR OH : rot 180:sc= -1.59 USER MOD Single : A 35 TYR OH : rot 29:sc= -1.68 USER MOD Single : A 45 SER OG : rot 158:sc= -1.61! USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.659) USER MOD Single : A 50 THR OG1 : rot 66:sc= -2.93! USER MOD Single : A 57 CYS SG : rot 11:sc= -0.514 USER MOD Single : A 60 THR OG1 : rot -126:sc= -0.548 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.83 K(o=-2.8,f=-0.46) USER MOD Single : A 70 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.699 -12.933 -5.159 1.00 0.00 N ATOM 2 CA MET A 1 47.952 -12.301 -4.659 1.00 0.00 C ATOM 3 C MET A 1 47.792 -10.779 -4.660 1.00 0.00 C ATOM 4 O MET A 1 47.099 -10.219 -5.487 1.00 0.00 O ATOM 5 CB MET A 1 49.119 -12.692 -5.569 1.00 0.00 C ATOM 6 CG MET A 1 50.245 -13.291 -4.725 1.00 0.00 C ATOM 7 SD MET A 1 51.836 -12.640 -5.294 1.00 0.00 S ATOM 8 CE MET A 1 52.893 -13.762 -4.346 1.00 0.00 C ATOM 0 H1 MET A 1 46.902 -13.902 -5.479 1.00 0.00 H new ATOM 0 H2 MET A 1 45.995 -12.962 -4.394 1.00 0.00 H new ATOM 0 H3 MET A 1 46.323 -12.378 -5.954 1.00 0.00 H new ATOM 0 HA MET A 1 48.152 -12.644 -3.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.786 -13.413 -6.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.481 -11.818 -6.110 1.00 0.00 H new ATOM 0 HG2 MET A 1 50.095 -13.047 -3.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.235 -14.378 -4.805 1.00 0.00 H new ATOM 0 HE1 MET A 1 53.939 -13.535 -4.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 52.694 -13.637 -3.282 1.00 0.00 H new ATOM 0 HE3 MET A 1 52.683 -14.792 -4.636 1.00 0.00 H new ATOM 18 N ALA A 2 48.426 -10.106 -3.739 1.00 0.00 N ATOM 19 CA ALA A 2 48.309 -8.621 -3.687 1.00 0.00 C ATOM 20 C ALA A 2 49.705 -7.997 -3.622 1.00 0.00 C ATOM 21 O ALA A 2 49.853 -6.797 -3.503 1.00 0.00 O ATOM 22 CB ALA A 2 47.512 -8.215 -2.446 1.00 0.00 C ATOM 0 H ALA A 2 49.020 -10.520 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 2 47.796 -8.268 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 2 47.426 -7.129 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 2 46.516 -8.656 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 2 48.025 -8.570 -1.552 1.00 0.00 H new ATOM 28 N GLU A 3 50.731 -8.800 -3.701 1.00 0.00 N ATOM 29 CA GLU A 3 52.113 -8.248 -3.645 1.00 0.00 C ATOM 30 C GLU A 3 52.979 -8.935 -4.703 1.00 0.00 C ATOM 31 O GLU A 3 52.611 -9.954 -5.253 1.00 0.00 O ATOM 32 CB GLU A 3 52.707 -8.500 -2.258 1.00 0.00 C ATOM 33 CG GLU A 3 52.565 -9.981 -1.906 1.00 0.00 C ATOM 34 CD GLU A 3 51.282 -10.196 -1.102 1.00 0.00 C ATOM 35 OE1 GLU A 3 50.645 -9.211 -0.766 1.00 0.00 O ATOM 36 OE2 GLU A 3 50.957 -11.342 -0.837 1.00 0.00 O ATOM 0 H GLU A 3 50.671 -9.813 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 3 52.084 -7.176 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 3 53.758 -8.210 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 3 52.196 -7.888 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 3 52.541 -10.581 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 3 53.428 -10.312 -1.328 1.00 0.00 H new ATOM 43 N ASP A 4 54.126 -8.384 -4.995 1.00 0.00 N ATOM 44 CA ASP A 4 55.011 -9.008 -6.018 1.00 0.00 C ATOM 45 C ASP A 4 56.441 -8.492 -5.843 1.00 0.00 C ATOM 46 O ASP A 4 56.835 -7.513 -6.446 1.00 0.00 O ATOM 47 CB ASP A 4 54.505 -8.650 -7.416 1.00 0.00 C ATOM 48 CG ASP A 4 53.878 -9.887 -8.063 1.00 0.00 C ATOM 49 OD1 ASP A 4 53.418 -10.746 -7.328 1.00 0.00 O ATOM 50 OD2 ASP A 4 53.868 -9.955 -9.281 1.00 0.00 O ATOM 0 H ASP A 4 54.487 -7.530 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 4 55.001 -10.091 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 4 53.771 -7.847 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 4 55.328 -8.283 -8.029 1.00 0.00 H new ATOM 55 N TRP A 5 57.221 -9.144 -5.023 1.00 0.00 N ATOM 56 CA TRP A 5 58.625 -8.699 -4.808 1.00 0.00 C ATOM 57 C TRP A 5 59.249 -8.307 -6.150 1.00 0.00 C ATOM 58 O TRP A 5 59.566 -9.149 -6.967 1.00 0.00 O ATOM 59 CB TRP A 5 59.426 -9.844 -4.189 1.00 0.00 C ATOM 60 CG TRP A 5 58.809 -10.241 -2.884 1.00 0.00 C ATOM 61 CD1 TRP A 5 57.766 -11.091 -2.741 1.00 0.00 C ATOM 62 CD2 TRP A 5 59.181 -9.820 -1.542 1.00 0.00 C ATOM 63 NE1 TRP A 5 57.475 -11.217 -1.394 1.00 0.00 N ATOM 64 CE2 TRP A 5 58.322 -10.454 -0.614 1.00 0.00 C ATOM 65 CE3 TRP A 5 60.172 -8.958 -1.048 1.00 0.00 C ATOM 66 CZ2 TRP A 5 58.445 -10.239 0.760 1.00 0.00 C ATOM 67 CZ3 TRP A 5 60.300 -8.738 0.333 1.00 0.00 C ATOM 68 CH2 TRP A 5 59.437 -9.377 1.235 1.00 0.00 C ATOM 0 H TRP A 5 56.943 -9.969 -4.491 1.00 0.00 H new ATOM 0 HA TRP A 5 58.638 -7.839 -4.139 1.00 0.00 H new ATOM 0 HB2 TRP A 5 59.445 -10.696 -4.868 1.00 0.00 H new ATOM 0 HB3 TRP A 5 60.460 -9.536 -4.035 1.00 0.00 H new ATOM 0 HD1 TRP A 5 57.246 -11.589 -3.546 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.726 -11.802 -1.022 1.00 0.00 H new ATOM 0 HE3 TRP A 5 60.841 -8.460 -1.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.779 -10.735 1.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 61.067 -8.073 0.702 1.00 0.00 H new ATOM 0 HH2 TRP A 5 59.539 -9.203 2.296 1.00 0.00 H new ATOM 79 N LEU A 6 59.424 -7.035 -6.386 1.00 0.00 N ATOM 80 CA LEU A 6 60.023 -6.591 -7.677 1.00 0.00 C ATOM 81 C LEU A 6 61.363 -5.903 -7.409 1.00 0.00 C ATOM 82 O LEU A 6 61.626 -5.437 -6.318 1.00 0.00 O ATOM 83 CB LEU A 6 59.074 -5.607 -8.367 1.00 0.00 C ATOM 84 CG LEU A 6 58.782 -4.437 -7.427 1.00 0.00 C ATOM 85 CD1 LEU A 6 59.137 -3.121 -8.121 1.00 0.00 C ATOM 86 CD2 LEU A 6 57.295 -4.436 -7.063 1.00 0.00 C ATOM 0 H LEU A 6 59.178 -6.284 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 6 60.182 -7.456 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 6 59.521 -5.242 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 6 58.146 -6.110 -8.638 1.00 0.00 H new ATOM 0 HG LEU A 6 59.380 -4.541 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 6 58.928 -2.288 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 6 60.195 -3.121 -8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 6 58.541 -3.015 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 6 57.085 -3.602 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 6 56.699 -4.332 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 6 57.041 -5.373 -6.567 1.00 0.00 H new ATOM 98 N ASP A 7 62.214 -5.834 -8.397 1.00 0.00 N ATOM 99 CA ASP A 7 63.536 -5.175 -8.198 1.00 0.00 C ATOM 100 C ASP A 7 63.328 -3.794 -7.572 1.00 0.00 C ATOM 101 O ASP A 7 62.358 -3.116 -7.849 1.00 0.00 O ATOM 102 CB ASP A 7 64.239 -5.025 -9.550 1.00 0.00 C ATOM 103 CG ASP A 7 64.531 -6.410 -10.129 1.00 0.00 C ATOM 104 OD1 ASP A 7 65.574 -6.956 -9.809 1.00 0.00 O ATOM 105 OD2 ASP A 7 63.708 -6.902 -10.884 1.00 0.00 O ATOM 0 H ASP A 7 62.051 -6.205 -9.333 1.00 0.00 H new ATOM 0 HA ASP A 7 64.151 -5.784 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 7 63.612 -4.457 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 7 65.167 -4.466 -9.429 1.00 0.00 H new ATOM 110 N CYS A 8 64.230 -3.372 -6.727 1.00 0.00 N ATOM 111 CA CYS A 8 64.082 -2.037 -6.082 1.00 0.00 C ATOM 112 C CYS A 8 64.753 -0.966 -6.952 1.00 0.00 C ATOM 113 O CYS A 8 65.956 -0.977 -7.117 1.00 0.00 O ATOM 114 CB CYS A 8 64.756 -2.061 -4.710 1.00 0.00 C ATOM 115 SG CYS A 8 64.476 -0.480 -3.876 1.00 0.00 S ATOM 0 H CYS A 8 65.063 -3.895 -6.456 1.00 0.00 H new ATOM 0 HA CYS A 8 63.023 -1.805 -5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 8 64.355 -2.878 -4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.825 -2.242 -4.821 1.00 0.00 H new ATOM 0 HG CYS A 8 63.595 -0.637 -2.933 1.00 0.00 H new ATOM 121 N PRO A 9 63.961 -0.068 -7.482 1.00 0.00 N ATOM 122 CA PRO A 9 64.466 1.020 -8.337 1.00 0.00 C ATOM 123 C PRO A 9 65.081 2.130 -7.482 1.00 0.00 C ATOM 124 O PRO A 9 66.221 2.508 -7.661 1.00 0.00 O ATOM 125 CB PRO A 9 63.212 1.523 -9.057 1.00 0.00 C ATOM 126 CG PRO A 9 62.008 1.103 -8.179 1.00 0.00 C ATOM 127 CD PRO A 9 62.497 -0.051 -7.284 1.00 0.00 C ATOM 0 HA PRO A 9 65.247 0.696 -9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 9 63.243 2.605 -9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 9 63.136 1.089 -10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 9 61.658 1.940 -7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 9 61.169 0.784 -8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.238 0.119 -6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 9 62.045 -0.999 -7.574 1.00 0.00 H new ATOM 135 N ALA A 10 64.330 2.657 -6.556 1.00 0.00 N ATOM 136 CA ALA A 10 64.861 3.745 -5.691 1.00 0.00 C ATOM 137 C ALA A 10 66.241 3.356 -5.150 1.00 0.00 C ATOM 138 O ALA A 10 67.133 4.177 -5.058 1.00 0.00 O ATOM 139 CB ALA A 10 63.899 3.976 -4.527 1.00 0.00 C ATOM 0 H ALA A 10 63.368 2.380 -6.361 1.00 0.00 H new ATOM 0 HA ALA A 10 64.955 4.660 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 10 64.283 4.772 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 10 62.921 4.261 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 10 63.805 3.059 -3.945 1.00 0.00 H new ATOM 145 N LEU A 11 66.429 2.113 -4.791 1.00 0.00 N ATOM 146 CA LEU A 11 67.756 1.686 -4.258 1.00 0.00 C ATOM 147 C LEU A 11 68.611 1.121 -5.395 1.00 0.00 C ATOM 148 O LEU A 11 69.673 1.629 -5.694 1.00 0.00 O ATOM 149 CB LEU A 11 67.566 0.609 -3.183 1.00 0.00 C ATOM 150 CG LEU A 11 66.701 1.149 -2.038 1.00 0.00 C ATOM 151 CD1 LEU A 11 66.917 0.290 -0.790 1.00 0.00 C ATOM 152 CD2 LEU A 11 67.091 2.598 -1.725 1.00 0.00 C ATOM 0 H LEU A 11 65.724 1.378 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 11 68.256 2.550 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 11 67.095 -0.272 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 11 68.536 0.294 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 11 65.653 1.114 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 11 66.303 0.672 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.635 -0.741 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 11 67.967 0.326 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 11 66.472 2.974 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 11 68.140 2.637 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.939 3.215 -2.611 1.00 0.00 H new ATOM 164 N GLY A 12 68.160 0.073 -6.031 1.00 0.00 N ATOM 165 CA GLY A 12 68.956 -0.516 -7.145 1.00 0.00 C ATOM 166 C GLY A 12 68.735 -2.031 -7.198 1.00 0.00 C ATOM 167 O GLY A 12 67.672 -2.515 -6.863 1.00 0.00 O ATOM 0 H GLY A 12 67.279 -0.399 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 12 68.663 -0.063 -8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 12 70.015 -0.299 -7.002 1.00 0.00 H new ATOM 171 N PRO A 13 69.751 -2.736 -7.626 1.00 0.00 N ATOM 172 CA PRO A 13 69.705 -4.204 -7.746 1.00 0.00 C ATOM 173 C PRO A 13 69.862 -4.868 -6.375 1.00 0.00 C ATOM 174 O PRO A 13 70.364 -4.276 -5.440 1.00 0.00 O ATOM 175 CB PRO A 13 70.900 -4.526 -8.648 1.00 0.00 C ATOM 176 CG PRO A 13 71.872 -3.328 -8.529 1.00 0.00 C ATOM 177 CD PRO A 13 71.040 -2.134 -8.025 1.00 0.00 C ATOM 0 HA PRO A 13 68.759 -4.569 -8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 13 71.384 -5.451 -8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 13 70.581 -4.666 -9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 13 72.683 -3.555 -7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 13 72.329 -3.103 -9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 13 71.525 -1.637 -7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 13 70.906 -1.384 -8.805 1.00 0.00 H new ATOM 185 N GLY A 14 69.438 -6.097 -6.251 1.00 0.00 N ATOM 186 CA GLY A 14 69.564 -6.804 -4.945 1.00 0.00 C ATOM 187 C GLY A 14 68.366 -6.466 -4.055 1.00 0.00 C ATOM 188 O GLY A 14 67.517 -7.297 -3.799 1.00 0.00 O ATOM 0 H GLY A 14 69.009 -6.642 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 14 69.616 -7.881 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.490 -6.511 -4.450 1.00 0.00 H new ATOM 192 N TRP A 15 68.292 -5.254 -3.578 1.00 0.00 N ATOM 193 CA TRP A 15 67.151 -4.863 -2.702 1.00 0.00 C ATOM 194 C TRP A 15 65.830 -5.258 -3.367 1.00 0.00 C ATOM 195 O TRP A 15 65.561 -4.896 -4.496 1.00 0.00 O ATOM 196 CB TRP A 15 67.178 -3.348 -2.483 1.00 0.00 C ATOM 197 CG TRP A 15 66.526 -3.017 -1.179 1.00 0.00 C ATOM 198 CD1 TRP A 15 65.380 -2.314 -1.038 1.00 0.00 C ATOM 199 CD2 TRP A 15 66.963 -3.360 0.166 1.00 0.00 C ATOM 200 NE1 TRP A 15 65.087 -2.203 0.310 1.00 0.00 N ATOM 201 CE2 TRP A 15 66.033 -2.833 1.091 1.00 0.00 C ATOM 202 CE3 TRP A 15 68.066 -4.070 0.666 1.00 0.00 C ATOM 203 CZ2 TRP A 15 66.192 -3.006 2.466 1.00 0.00 C ATOM 204 CZ3 TRP A 15 68.231 -4.246 2.049 1.00 0.00 C ATOM 205 CH2 TRP A 15 67.295 -3.716 2.947 1.00 0.00 C ATOM 0 H TRP A 15 68.973 -4.516 -3.757 1.00 0.00 H new ATOM 0 HA TRP A 15 67.238 -5.375 -1.743 1.00 0.00 H new ATOM 0 HB2 TRP A 15 68.207 -2.988 -2.488 1.00 0.00 H new ATOM 0 HB3 TRP A 15 66.660 -2.843 -3.298 1.00 0.00 H new ATOM 0 HD1 TRP A 15 64.790 -1.906 -1.845 1.00 0.00 H new ATOM 0 HE1 TRP A 15 64.271 -1.715 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 15 68.792 -4.484 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 65.468 -2.594 3.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 69.084 -4.793 2.423 1.00 0.00 H new ATOM 0 HH2 TRP A 15 67.426 -3.856 4.010 1.00 0.00 H new ATOM 216 N LYS A 16 65.000 -5.993 -2.676 1.00 0.00 N ATOM 217 CA LYS A 16 63.696 -6.401 -3.274 1.00 0.00 C ATOM 218 C LYS A 16 62.594 -5.468 -2.765 1.00 0.00 C ATOM 219 O LYS A 16 62.234 -5.491 -1.604 1.00 0.00 O ATOM 220 CB LYS A 16 63.375 -7.844 -2.875 1.00 0.00 C ATOM 221 CG LYS A 16 63.910 -8.801 -3.945 1.00 0.00 C ATOM 222 CD LYS A 16 63.337 -8.414 -5.310 1.00 0.00 C ATOM 223 CE LYS A 16 62.977 -9.678 -6.093 1.00 0.00 C ATOM 224 NZ LYS A 16 64.066 -10.684 -5.942 1.00 0.00 N ATOM 0 H LYS A 16 65.168 -6.327 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 16 63.756 -6.336 -4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 63.824 -8.074 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 16 62.298 -7.971 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 16 64.999 -8.761 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 16 63.634 -9.827 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.453 -7.790 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 64.065 -7.824 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 16 62.035 -10.088 -5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 16 62.833 -9.437 -7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.067 -11.320 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.983 -10.197 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 63.909 -11.238 -5.076 1.00 0.00 H new ATOM 238 N ARG A 17 62.064 -4.641 -3.625 1.00 0.00 N ATOM 239 CA ARG A 17 60.993 -3.697 -3.196 1.00 0.00 C ATOM 240 C ARG A 17 59.621 -4.359 -3.356 1.00 0.00 C ATOM 241 O ARG A 17 59.110 -4.492 -4.449 1.00 0.00 O ATOM 242 CB ARG A 17 61.057 -2.438 -4.066 1.00 0.00 C ATOM 243 CG ARG A 17 60.695 -1.211 -3.227 1.00 0.00 C ATOM 244 CD ARG A 17 61.018 0.063 -4.014 1.00 0.00 C ATOM 245 NE ARG A 17 60.324 1.222 -3.389 1.00 0.00 N ATOM 246 CZ ARG A 17 59.021 1.291 -3.407 1.00 0.00 C ATOM 247 NH1 ARG A 17 58.348 0.692 -4.351 1.00 0.00 N ATOM 248 NH2 ARG A 17 58.390 1.960 -2.480 1.00 0.00 N ATOM 0 H ARG A 17 62.327 -4.578 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 17 61.141 -3.432 -2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 17 62.058 -2.323 -4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 17 60.370 -2.531 -4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 17 59.636 -1.233 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.251 -1.222 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 17 62.095 0.233 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 60.702 -0.048 -5.051 1.00 0.00 H new ATOM 0 HE ARG A 17 60.867 1.963 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 17 58.840 0.169 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 17 57.330 0.746 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 17 58.916 2.429 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 17 57.372 2.014 -2.494 1.00 0.00 H new ATOM 262 N ARG A 18 59.017 -4.767 -2.272 1.00 0.00 N ATOM 263 CA ARG A 18 57.676 -5.411 -2.368 1.00 0.00 C ATOM 264 C ARG A 18 56.593 -4.354 -2.142 1.00 0.00 C ATOM 265 O ARG A 18 56.711 -3.506 -1.279 1.00 0.00 O ATOM 266 CB ARG A 18 57.548 -6.505 -1.304 1.00 0.00 C ATOM 267 CG ARG A 18 56.086 -6.947 -1.205 1.00 0.00 C ATOM 268 CD ARG A 18 56.006 -8.317 -0.528 1.00 0.00 C ATOM 269 NE ARG A 18 54.682 -8.464 0.139 1.00 0.00 N ATOM 270 CZ ARG A 18 54.580 -9.158 1.239 1.00 0.00 C ATOM 271 NH1 ARG A 18 55.381 -10.165 1.451 1.00 0.00 N ATOM 272 NH2 ARG A 18 53.675 -8.846 2.127 1.00 0.00 N ATOM 0 H ARG A 18 59.393 -4.682 -1.328 1.00 0.00 H new ATOM 0 HA ARG A 18 57.558 -5.856 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 18 58.180 -7.355 -1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.893 -6.132 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 18 55.513 -6.215 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.643 -6.996 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 18 56.144 -9.108 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.807 -8.421 0.204 1.00 0.00 H new ATOM 0 HE ARG A 18 53.856 -8.022 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 18 56.087 -10.410 0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 18 55.301 -10.708 2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.047 -8.059 1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 18 53.596 -9.389 2.987 1.00 0.00 H new ATOM 286 N GLU A 19 55.538 -4.398 -2.909 1.00 0.00 N ATOM 287 CA GLU A 19 54.451 -3.395 -2.736 1.00 0.00 C ATOM 288 C GLU A 19 53.145 -4.113 -2.392 1.00 0.00 C ATOM 289 O GLU A 19 52.895 -5.215 -2.839 1.00 0.00 O ATOM 290 CB GLU A 19 54.271 -2.606 -4.034 1.00 0.00 C ATOM 291 CG GLU A 19 53.802 -3.549 -5.144 1.00 0.00 C ATOM 292 CD GLU A 19 54.044 -2.893 -6.505 1.00 0.00 C ATOM 293 OE1 GLU A 19 54.016 -1.675 -6.567 1.00 0.00 O ATOM 294 OE2 GLU A 19 54.255 -3.621 -7.461 1.00 0.00 O ATOM 0 H GLU A 19 55.382 -5.085 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 19 54.714 -2.711 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.543 -1.808 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 19 55.211 -2.133 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 19 54.340 -4.495 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.743 -3.776 -5.020 1.00 0.00 H new ATOM 301 N VAL A 20 52.310 -3.497 -1.603 1.00 0.00 N ATOM 302 CA VAL A 20 51.020 -4.142 -1.232 1.00 0.00 C ATOM 303 C VAL A 20 49.891 -3.122 -1.374 1.00 0.00 C ATOM 304 O VAL A 20 49.287 -2.714 -0.403 1.00 0.00 O ATOM 305 CB VAL A 20 51.090 -4.629 0.216 1.00 0.00 C ATOM 306 CG1 VAL A 20 49.744 -5.236 0.615 1.00 0.00 C ATOM 307 CG2 VAL A 20 52.186 -5.689 0.347 1.00 0.00 C ATOM 0 H VAL A 20 52.465 -2.574 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 20 50.832 -4.991 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 20 51.319 -3.788 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 20 49.793 -5.583 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 20 48.963 -4.481 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 20 49.515 -6.077 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 20 52.235 -6.036 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 20 51.959 -6.530 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 20 53.146 -5.257 0.063 1.00 0.00 H new ATOM 317 N PHE A 21 49.608 -2.701 -2.577 1.00 0.00 N ATOM 318 CA PHE A 21 48.522 -1.701 -2.782 1.00 0.00 C ATOM 319 C PHE A 21 47.270 -2.136 -2.020 1.00 0.00 C ATOM 320 O PHE A 21 46.440 -2.861 -2.531 1.00 0.00 O ATOM 321 CB PHE A 21 48.201 -1.594 -4.273 1.00 0.00 C ATOM 322 CG PHE A 21 48.864 -0.364 -4.843 1.00 0.00 C ATOM 323 CD1 PHE A 21 50.163 -0.445 -5.361 1.00 0.00 C ATOM 324 CD2 PHE A 21 48.182 0.859 -4.853 1.00 0.00 C ATOM 325 CE1 PHE A 21 50.779 0.695 -5.888 1.00 0.00 C ATOM 326 CE2 PHE A 21 48.799 2.000 -5.381 1.00 0.00 C ATOM 327 CZ PHE A 21 50.097 1.918 -5.898 1.00 0.00 C ATOM 0 H PHE A 21 50.082 -3.007 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 21 48.851 -0.731 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 21 48.551 -2.484 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 21 47.122 -1.540 -4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 21 50.689 -1.388 -5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 21 47.181 0.922 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 21 51.781 0.632 -6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 21 48.273 2.943 -5.389 1.00 0.00 H new ATOM 0 HZ PHE A 21 50.573 2.798 -6.305 1.00 0.00 H new ATOM 337 N ARG A 22 47.126 -1.698 -0.800 1.00 0.00 N ATOM 338 CA ARG A 22 45.926 -2.084 -0.006 1.00 0.00 C ATOM 339 C ARG A 22 44.712 -1.302 -0.509 1.00 0.00 C ATOM 340 O ARG A 22 43.602 -1.797 -0.517 1.00 0.00 O ATOM 341 CB ARG A 22 46.166 -1.759 1.470 1.00 0.00 C ATOM 342 CG ARG A 22 47.040 -2.846 2.096 1.00 0.00 C ATOM 343 CD ARG A 22 46.864 -2.834 3.615 1.00 0.00 C ATOM 344 NE ARG A 22 46.822 -4.234 4.121 1.00 0.00 N ATOM 345 CZ ARG A 22 46.626 -4.464 5.391 1.00 0.00 C ATOM 346 NH1 ARG A 22 45.460 -4.223 5.925 1.00 0.00 N ATOM 347 NH2 ARG A 22 47.596 -4.934 6.126 1.00 0.00 N ATOM 0 H ARG A 22 47.788 -1.089 -0.318 1.00 0.00 H new ATOM 0 HA ARG A 22 45.743 -3.153 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 22 46.651 -0.788 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 22 45.215 -1.693 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 22 46.766 -3.822 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 22 48.086 -2.678 1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 22 47.686 -2.291 4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 22 45.945 -2.312 3.881 1.00 0.00 H new ATOM 0 HE ARG A 22 46.946 -5.013 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 22 44.702 -3.855 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 22 45.307 -4.403 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 22 48.507 -5.122 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 22 47.443 -5.114 7.118 1.00 0.00 H new ATOM 361 N LYS A 23 44.914 -0.083 -0.930 1.00 0.00 N ATOM 362 CA LYS A 23 43.773 0.732 -1.433 1.00 0.00 C ATOM 363 C LYS A 23 44.292 2.091 -1.909 1.00 0.00 C ATOM 364 O LYS A 23 45.191 2.662 -1.324 1.00 0.00 O ATOM 365 CB LYS A 23 42.757 0.939 -0.307 1.00 0.00 C ATOM 366 CG LYS A 23 41.349 1.026 -0.899 1.00 0.00 C ATOM 367 CD LYS A 23 40.778 -0.384 -1.067 1.00 0.00 C ATOM 368 CE LYS A 23 39.773 -0.663 0.052 1.00 0.00 C ATOM 369 NZ LYS A 23 38.413 -0.829 -0.531 1.00 0.00 N ATOM 0 H LYS A 23 45.821 0.384 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 23 43.293 0.214 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 23 42.814 0.115 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.989 1.851 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 23 40.705 1.616 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.379 1.535 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 23 40.293 -0.478 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 23 41.582 -1.119 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 23 40.059 -1.563 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 23 39.775 0.157 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 37.730 -1.019 0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 38.141 0.041 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 38.417 -1.626 -1.199 1.00 0.00 H new ATOM 383 N SER A 24 43.734 2.614 -2.967 1.00 0.00 N ATOM 384 CA SER A 24 44.198 3.935 -3.478 1.00 0.00 C ATOM 385 C SER A 24 43.352 5.049 -2.856 1.00 0.00 C ATOM 386 O SER A 24 43.792 6.173 -2.721 1.00 0.00 O ATOM 387 CB SER A 24 44.053 3.973 -4.999 1.00 0.00 C ATOM 388 OG SER A 24 42.708 4.288 -5.334 1.00 0.00 O ATOM 0 H SER A 24 42.978 2.184 -3.499 1.00 0.00 H new ATOM 0 HA SER A 24 45.244 4.081 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 24 44.729 4.716 -5.422 1.00 0.00 H new ATOM 0 HB3 SER A 24 44.331 3.010 -5.427 1.00 0.00 H new ATOM 0 HG SER A 24 42.611 4.315 -6.309 1.00 0.00 H new ATOM 394 N GLY A 25 42.140 4.746 -2.476 1.00 0.00 N ATOM 395 CA GLY A 25 41.269 5.788 -1.862 1.00 0.00 C ATOM 396 C GLY A 25 41.160 6.986 -2.806 1.00 0.00 C ATOM 397 O GLY A 25 41.487 6.901 -3.974 1.00 0.00 O ATOM 0 H GLY A 25 41.716 3.823 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 25 40.279 5.378 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 25 41.682 6.103 -0.904 1.00 0.00 H new ATOM 401 N ALA A 26 40.703 8.103 -2.310 1.00 0.00 N ATOM 402 CA ALA A 26 40.575 9.306 -3.178 1.00 0.00 C ATOM 403 C ALA A 26 41.914 10.043 -3.229 1.00 0.00 C ATOM 404 O ALA A 26 42.193 10.896 -2.410 1.00 0.00 O ATOM 405 CB ALA A 26 39.505 10.236 -2.607 1.00 0.00 C ATOM 0 H ALA A 26 40.413 8.234 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 26 40.290 8.998 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 26 39.411 11.117 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 26 38.550 9.712 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 26 39.790 10.543 -1.601 1.00 0.00 H new ATOM 411 N THR A 27 42.741 9.718 -4.186 1.00 0.00 N ATOM 412 CA THR A 27 44.065 10.394 -4.301 1.00 0.00 C ATOM 413 C THR A 27 44.682 10.575 -2.912 1.00 0.00 C ATOM 414 O THR A 27 45.353 11.551 -2.642 1.00 0.00 O ATOM 415 CB THR A 27 43.887 11.762 -4.967 1.00 0.00 C ATOM 416 OG1 THR A 27 45.155 12.388 -5.104 1.00 0.00 O ATOM 417 CG2 THR A 27 42.973 12.640 -4.111 1.00 0.00 C ATOM 0 H THR A 27 42.555 9.010 -4.896 1.00 0.00 H new ATOM 0 HA THR A 27 44.729 9.778 -4.908 1.00 0.00 H new ATOM 0 HB THR A 27 43.437 11.629 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 27 45.610 12.399 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 27 42.850 13.612 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 27 42.000 12.160 -4.008 1.00 0.00 H new ATOM 0 HG23 THR A 27 43.417 12.775 -3.125 1.00 0.00 H new ATOM 425 N CYS A 28 44.465 9.638 -2.030 1.00 0.00 N ATOM 426 CA CYS A 28 45.045 9.755 -0.663 1.00 0.00 C ATOM 427 C CYS A 28 45.365 8.358 -0.130 1.00 0.00 C ATOM 428 O CYS A 28 45.415 8.134 1.064 1.00 0.00 O ATOM 429 CB CYS A 28 44.038 10.438 0.264 1.00 0.00 C ATOM 430 SG CYS A 28 44.903 11.625 1.322 1.00 0.00 S ATOM 0 H CYS A 28 43.912 8.798 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 28 45.958 10.349 -0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 28 43.274 10.947 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 28 43.527 9.694 0.875 1.00 0.00 H new ATOM 0 HG CYS A 28 44.048 12.208 2.109 1.00 0.00 H new ATOM 436 N GLY A 29 45.583 7.417 -1.006 1.00 0.00 N ATOM 437 CA GLY A 29 45.901 6.034 -0.552 1.00 0.00 C ATOM 438 C GLY A 29 47.299 6.007 0.065 1.00 0.00 C ATOM 439 O GLY A 29 47.977 7.013 0.137 1.00 0.00 O ATOM 0 H GLY A 29 45.555 7.546 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 29 45.163 5.701 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 29 45.850 5.343 -1.394 1.00 0.00 H new ATOM 443 N ARG A 30 47.738 4.862 0.511 1.00 0.00 N ATOM 444 CA ARG A 30 49.095 4.768 1.122 1.00 0.00 C ATOM 445 C ARG A 30 49.751 3.454 0.693 1.00 0.00 C ATOM 446 O ARG A 30 50.885 3.428 0.257 1.00 0.00 O ATOM 447 CB ARG A 30 48.988 4.812 2.653 1.00 0.00 C ATOM 448 CG ARG A 30 47.588 4.376 3.097 1.00 0.00 C ATOM 449 CD ARG A 30 47.566 4.199 4.617 1.00 0.00 C ATOM 450 NE ARG A 30 46.991 5.419 5.251 1.00 0.00 N ATOM 451 CZ ARG A 30 47.351 5.758 6.459 1.00 0.00 C ATOM 452 NH1 ARG A 30 47.325 4.875 7.421 1.00 0.00 N ATOM 453 NH2 ARG A 30 47.736 6.981 6.706 1.00 0.00 N ATOM 0 H ARG A 30 47.215 3.987 0.479 1.00 0.00 H new ATOM 0 HA ARG A 30 49.700 5.610 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 30 49.739 4.158 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 30 49.193 5.821 3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 30 46.851 5.121 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 30 47.314 3.441 2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 30 46.973 3.324 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 30 48.576 4.025 4.988 1.00 0.00 H new ATOM 0 HE ARG A 30 46.316 5.989 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 30 47.023 3.920 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 30 47.606 5.141 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 30 47.755 7.671 5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 30 48.017 7.246 7.650 1.00 0.00 H new ATOM 467 N SER A 31 49.045 2.362 0.809 1.00 0.00 N ATOM 468 CA SER A 31 49.627 1.052 0.403 1.00 0.00 C ATOM 469 C SER A 31 50.814 0.716 1.309 1.00 0.00 C ATOM 470 O SER A 31 51.563 1.582 1.714 1.00 0.00 O ATOM 471 CB SER A 31 50.101 1.134 -1.048 1.00 0.00 C ATOM 472 OG SER A 31 49.052 1.651 -1.855 1.00 0.00 O ATOM 0 H SER A 31 48.091 2.321 1.167 1.00 0.00 H new ATOM 0 HA SER A 31 48.869 0.274 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 31 50.980 1.774 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 31 50.396 0.146 -1.403 1.00 0.00 H new ATOM 0 HG SER A 31 49.140 1.304 -2.767 1.00 0.00 H new ATOM 478 N ASP A 32 50.991 -0.538 1.627 1.00 0.00 N ATOM 479 CA ASP A 32 52.131 -0.929 2.503 1.00 0.00 C ATOM 480 C ASP A 32 53.298 -1.396 1.632 1.00 0.00 C ATOM 481 O ASP A 32 53.105 -1.946 0.565 1.00 0.00 O ATOM 482 CB ASP A 32 51.696 -2.065 3.432 1.00 0.00 C ATOM 483 CG ASP A 32 50.640 -1.546 4.411 1.00 0.00 C ATOM 484 OD1 ASP A 32 50.033 -0.531 4.113 1.00 0.00 O ATOM 485 OD2 ASP A 32 50.458 -2.173 5.442 1.00 0.00 O ATOM 0 H ASP A 32 50.396 -1.307 1.318 1.00 0.00 H new ATOM 0 HA ASP A 32 52.443 -0.074 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.291 -2.892 2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.556 -2.452 3.979 1.00 0.00 H new ATOM 490 N THR A 33 54.507 -1.178 2.070 1.00 0.00 N ATOM 491 CA THR A 33 55.678 -1.607 1.255 1.00 0.00 C ATOM 492 C THR A 33 56.734 -2.249 2.155 1.00 0.00 C ATOM 493 O THR A 33 57.151 -1.682 3.144 1.00 0.00 O ATOM 494 CB THR A 33 56.284 -0.388 0.557 1.00 0.00 C ATOM 495 OG1 THR A 33 55.667 0.791 1.052 1.00 0.00 O ATOM 496 CG2 THR A 33 56.057 -0.495 -0.952 1.00 0.00 C ATOM 0 H THR A 33 54.734 -0.723 2.954 1.00 0.00 H new ATOM 0 HA THR A 33 55.349 -2.334 0.512 1.00 0.00 H new ATOM 0 HB THR A 33 57.355 -0.348 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.154 1.108 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 33 56.489 0.374 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 33 56.532 -1.401 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 33 54.987 -0.535 -1.157 1.00 0.00 H new ATOM 504 N TYR A 34 57.176 -3.427 1.810 1.00 0.00 N ATOM 505 CA TYR A 34 58.213 -4.107 2.635 1.00 0.00 C ATOM 506 C TYR A 34 59.402 -4.467 1.743 1.00 0.00 C ATOM 507 O TYR A 34 59.236 -4.860 0.606 1.00 0.00 O ATOM 508 CB TYR A 34 57.628 -5.383 3.245 1.00 0.00 C ATOM 509 CG TYR A 34 56.171 -5.164 3.581 1.00 0.00 C ATOM 510 CD1 TYR A 34 55.763 -3.973 4.195 1.00 0.00 C ATOM 511 CD2 TYR A 34 55.227 -6.155 3.281 1.00 0.00 C ATOM 512 CE1 TYR A 34 54.413 -3.772 4.507 1.00 0.00 C ATOM 513 CE2 TYR A 34 53.877 -5.954 3.594 1.00 0.00 C ATOM 514 CZ TYR A 34 53.470 -4.763 4.206 1.00 0.00 C ATOM 515 OH TYR A 34 52.139 -4.565 4.514 1.00 0.00 O ATOM 0 H TYR A 34 56.863 -3.948 0.991 1.00 0.00 H new ATOM 0 HA TYR A 34 58.539 -3.443 3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 34 57.729 -6.212 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 34 58.182 -5.655 4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.490 -3.209 4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 34 55.541 -7.074 2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 34 54.099 -2.853 4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 34 53.150 -6.718 3.363 1.00 0.00 H new ATOM 0 HH TYR A 34 51.619 -5.349 4.238 1.00 0.00 H new ATOM 525 N TYR A 35 60.601 -4.332 2.239 1.00 0.00 N ATOM 526 CA TYR A 35 61.786 -4.667 1.401 1.00 0.00 C ATOM 527 C TYR A 35 62.568 -5.811 2.046 1.00 0.00 C ATOM 528 O TYR A 35 62.672 -5.903 3.253 1.00 0.00 O ATOM 529 CB TYR A 35 62.687 -3.439 1.274 1.00 0.00 C ATOM 530 CG TYR A 35 61.853 -2.258 0.848 1.00 0.00 C ATOM 531 CD1 TYR A 35 60.746 -2.453 0.015 1.00 0.00 C ATOM 532 CD2 TYR A 35 62.180 -0.971 1.289 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.963 -1.361 -0.377 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.398 0.123 0.896 1.00 0.00 C ATOM 535 CZ TYR A 35 60.289 -0.073 0.064 1.00 0.00 C ATOM 536 OH TYR A 35 59.515 1.003 -0.322 1.00 0.00 O ATOM 0 H TYR A 35 60.811 -4.006 3.183 1.00 0.00 H new ATOM 0 HA TYR A 35 61.450 -4.975 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 35 63.175 -3.231 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 35 63.476 -3.625 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 35 60.495 -3.447 -0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 35 63.035 -0.821 1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 35 59.108 -1.512 -1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.650 1.117 1.235 1.00 0.00 H new ATOM 0 HH TYR A 35 58.595 0.705 -0.478 1.00 0.00 H new ATOM 546 N GLN A 36 63.119 -6.683 1.249 1.00 0.00 N ATOM 547 CA GLN A 36 63.896 -7.821 1.812 1.00 0.00 C ATOM 548 C GLN A 36 65.349 -7.728 1.343 1.00 0.00 C ATOM 549 O GLN A 36 65.624 -7.494 0.182 1.00 0.00 O ATOM 550 CB GLN A 36 63.288 -9.141 1.331 1.00 0.00 C ATOM 551 CG GLN A 36 64.173 -10.304 1.782 1.00 0.00 C ATOM 552 CD GLN A 36 64.202 -10.359 3.311 1.00 0.00 C ATOM 553 OE1 GLN A 36 65.215 -10.080 3.921 1.00 0.00 O ATOM 554 NE2 GLN A 36 63.126 -10.710 3.960 1.00 0.00 N ATOM 0 H GLN A 36 63.065 -6.656 0.231 1.00 0.00 H new ATOM 0 HA GLN A 36 63.863 -7.781 2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 36 62.282 -9.258 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 36 63.198 -9.138 0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 36 63.791 -11.243 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 36 65.183 -10.179 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 36 62.275 -10.944 3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 36 63.135 -10.750 4.979 1.00 0.00 H new ATOM 563 N SER A 37 66.281 -7.911 2.238 1.00 0.00 N ATOM 564 CA SER A 37 67.716 -7.837 1.846 1.00 0.00 C ATOM 565 C SER A 37 68.141 -9.176 1.240 1.00 0.00 C ATOM 566 O SER A 37 67.396 -10.135 1.279 1.00 0.00 O ATOM 567 CB SER A 37 68.568 -7.544 3.083 1.00 0.00 C ATOM 568 OG SER A 37 67.744 -7.586 4.240 1.00 0.00 O ATOM 0 H SER A 37 66.110 -8.109 3.224 1.00 0.00 H new ATOM 0 HA SER A 37 67.856 -7.042 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 37 69.371 -8.276 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 37 69.038 -6.565 2.992 1.00 0.00 H new ATOM 0 HG SER A 37 67.379 -6.693 4.415 1.00 0.00 H new ATOM 574 N PRO A 38 69.331 -9.201 0.698 1.00 0.00 N ATOM 575 CA PRO A 38 69.891 -10.412 0.075 1.00 0.00 C ATOM 576 C PRO A 38 70.398 -11.378 1.150 1.00 0.00 C ATOM 577 O PRO A 38 70.998 -12.393 0.854 1.00 0.00 O ATOM 578 CB PRO A 38 71.049 -9.876 -0.771 1.00 0.00 C ATOM 579 CG PRO A 38 71.442 -8.511 -0.158 1.00 0.00 C ATOM 580 CD PRO A 38 70.227 -8.027 0.655 1.00 0.00 C ATOM 0 HA PRO A 38 69.163 -10.970 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 38 71.893 -10.566 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 38 70.749 -9.762 -1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 38 72.320 -8.611 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 38 71.696 -7.794 -0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.518 -7.711 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 38 69.743 -7.174 0.179 1.00 0.00 H new ATOM 588 N THR A 39 70.161 -11.072 2.397 1.00 0.00 N ATOM 589 CA THR A 39 70.629 -11.971 3.488 1.00 0.00 C ATOM 590 C THR A 39 69.418 -12.568 4.210 1.00 0.00 C ATOM 591 O THR A 39 69.545 -13.467 5.016 1.00 0.00 O ATOM 592 CB THR A 39 71.473 -11.169 4.481 1.00 0.00 C ATOM 593 OG1 THR A 39 70.615 -10.484 5.383 1.00 0.00 O ATOM 594 CG2 THR A 39 72.331 -10.157 3.722 1.00 0.00 C ATOM 0 H THR A 39 69.663 -10.237 2.706 1.00 0.00 H new ATOM 0 HA THR A 39 71.232 -12.775 3.066 1.00 0.00 H new ATOM 0 HB THR A 39 72.121 -11.845 5.038 1.00 0.00 H new ATOM 0 HG1 THR A 39 71.005 -9.614 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 39 72.932 -9.586 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 39 72.988 -10.684 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 39 71.686 -9.479 3.164 1.00 0.00 H new ATOM 602 N GLY A 40 68.243 -12.076 3.925 1.00 0.00 N ATOM 603 CA GLY A 40 67.026 -12.618 4.594 1.00 0.00 C ATOM 604 C GLY A 40 66.568 -11.656 5.692 1.00 0.00 C ATOM 605 O GLY A 40 65.801 -12.016 6.563 1.00 0.00 O ATOM 0 H GLY A 40 68.073 -11.323 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 40 66.229 -12.757 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 40 67.240 -13.597 5.022 1.00 0.00 H new ATOM 609 N ASP A 41 67.026 -10.435 5.659 1.00 0.00 N ATOM 610 CA ASP A 41 66.607 -9.458 6.703 1.00 0.00 C ATOM 611 C ASP A 41 65.448 -8.615 6.171 1.00 0.00 C ATOM 612 O ASP A 41 65.612 -7.810 5.275 1.00 0.00 O ATOM 613 CB ASP A 41 67.783 -8.546 7.056 1.00 0.00 C ATOM 614 CG ASP A 41 67.598 -8.006 8.475 1.00 0.00 C ATOM 615 OD1 ASP A 41 66.584 -8.317 9.078 1.00 0.00 O ATOM 616 OD2 ASP A 41 68.473 -7.291 8.935 1.00 0.00 O ATOM 0 H ASP A 41 67.670 -10.072 4.956 1.00 0.00 H new ATOM 0 HA ASP A 41 66.288 -9.995 7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 41 68.720 -9.098 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 41 67.844 -7.721 6.346 1.00 0.00 H new ATOM 621 N ARG A 42 64.276 -8.796 6.712 1.00 0.00 N ATOM 622 CA ARG A 42 63.104 -8.011 6.235 1.00 0.00 C ATOM 623 C ARG A 42 63.003 -6.702 7.021 1.00 0.00 C ATOM 624 O ARG A 42 62.887 -6.698 8.231 1.00 0.00 O ATOM 625 CB ARG A 42 61.830 -8.832 6.442 1.00 0.00 C ATOM 626 CG ARG A 42 61.826 -9.417 7.855 1.00 0.00 C ATOM 627 CD ARG A 42 61.994 -10.936 7.779 1.00 0.00 C ATOM 628 NE ARG A 42 60.926 -11.591 8.585 1.00 0.00 N ATOM 629 CZ ARG A 42 61.076 -12.822 8.988 1.00 0.00 C ATOM 630 NH1 ARG A 42 61.767 -13.076 10.066 1.00 0.00 N ATOM 631 NH2 ARG A 42 60.538 -13.799 8.312 1.00 0.00 N ATOM 0 H ARG A 42 64.079 -9.455 7.465 1.00 0.00 H new ATOM 0 HA ARG A 42 63.226 -7.783 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 42 60.952 -8.204 6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 42 61.777 -9.633 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.633 -8.980 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.893 -9.168 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.938 -11.268 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.976 -11.224 8.154 1.00 0.00 H new ATOM 0 HE ARG A 42 60.078 -11.077 8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.189 -12.312 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 42 61.884 -14.039 10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 42 60.000 -13.600 7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.655 -14.762 8.627 1.00 0.00 H new ATOM 645 N ILE A 43 63.041 -5.590 6.339 1.00 0.00 N ATOM 646 CA ILE A 43 62.942 -4.276 7.038 1.00 0.00 C ATOM 647 C ILE A 43 61.741 -3.504 6.490 1.00 0.00 C ATOM 648 O ILE A 43 61.371 -3.650 5.342 1.00 0.00 O ATOM 649 CB ILE A 43 64.210 -3.463 6.788 1.00 0.00 C ATOM 650 CG1 ILE A 43 65.425 -4.220 7.327 1.00 0.00 C ATOM 651 CG2 ILE A 43 64.093 -2.116 7.500 1.00 0.00 C ATOM 652 CD1 ILE A 43 66.497 -4.296 6.241 1.00 0.00 C ATOM 0 H ILE A 43 63.137 -5.534 5.325 1.00 0.00 H new ATOM 0 HA ILE A 43 62.822 -4.445 8.108 1.00 0.00 H new ATOM 0 HB ILE A 43 64.333 -3.304 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 43 65.820 -3.716 8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 43 65.134 -5.224 7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 43 64.996 -1.532 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 43 63.230 -1.574 7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 43 63.969 -2.280 8.571 1.00 0.00 H new ATOM 0 HD11 ILE A 43 67.364 -4.835 6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 43 66.098 -4.819 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 43 66.795 -3.288 5.952 1.00 0.00 H new ATOM 664 N ARG A 44 61.132 -2.681 7.297 1.00 0.00 N ATOM 665 CA ARG A 44 59.959 -1.900 6.811 1.00 0.00 C ATOM 666 C ARG A 44 60.157 -0.414 7.120 1.00 0.00 C ATOM 667 O ARG A 44 59.383 0.422 6.700 1.00 0.00 O ATOM 668 CB ARG A 44 58.686 -2.398 7.494 1.00 0.00 C ATOM 669 CG ARG A 44 57.568 -2.500 6.454 1.00 0.00 C ATOM 670 CD ARG A 44 56.234 -2.745 7.159 1.00 0.00 C ATOM 671 NE ARG A 44 55.433 -1.489 7.156 1.00 0.00 N ATOM 672 CZ ARG A 44 54.636 -1.223 8.154 1.00 0.00 C ATOM 673 NH1 ARG A 44 55.132 -0.972 9.334 1.00 0.00 N ATOM 674 NH2 ARG A 44 53.344 -1.208 7.973 1.00 0.00 N ATOM 0 H ARG A 44 61.394 -2.515 8.269 1.00 0.00 H new ATOM 0 HA ARG A 44 59.867 -2.034 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 44 58.862 -3.370 7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 44 58.396 -1.715 8.293 1.00 0.00 H new ATOM 0 HG2 ARG A 44 57.518 -1.583 5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 44 57.778 -3.312 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 44 55.685 -3.540 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 44 56.407 -3.076 8.183 1.00 0.00 H new ATOM 0 HE ARG A 44 55.508 -0.838 6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 44 56.142 -0.984 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 44 54.510 -0.764 10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 44 52.956 -1.404 7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 44 52.722 -1.000 8.754 1.00 0.00 H new ATOM 688 N SER A 45 61.190 -0.074 7.842 1.00 0.00 N ATOM 689 CA SER A 45 61.429 1.361 8.161 1.00 0.00 C ATOM 690 C SER A 45 62.309 1.971 7.071 1.00 0.00 C ATOM 691 O SER A 45 63.195 1.331 6.542 1.00 0.00 O ATOM 692 CB SER A 45 62.121 1.480 9.515 1.00 0.00 C ATOM 693 OG SER A 45 62.620 2.802 9.671 1.00 0.00 O ATOM 0 H SER A 45 61.876 -0.726 8.223 1.00 0.00 H new ATOM 0 HA SER A 45 60.479 1.893 8.205 1.00 0.00 H new ATOM 0 HB2 SER A 45 61.420 1.246 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 45 62.937 0.760 9.584 1.00 0.00 H new ATOM 0 HG SER A 45 62.741 2.996 10.624 1.00 0.00 H new ATOM 699 N LYS A 46 62.054 3.195 6.715 1.00 0.00 N ATOM 700 CA LYS A 46 62.851 3.845 5.639 1.00 0.00 C ATOM 701 C LYS A 46 64.317 3.988 6.057 1.00 0.00 C ATOM 702 O LYS A 46 65.182 3.284 5.574 1.00 0.00 O ATOM 703 CB LYS A 46 62.258 5.230 5.350 1.00 0.00 C ATOM 704 CG LYS A 46 63.271 6.089 4.589 1.00 0.00 C ATOM 705 CD LYS A 46 62.681 7.480 4.349 1.00 0.00 C ATOM 706 CE LYS A 46 63.144 8.427 5.458 1.00 0.00 C ATOM 707 NZ LYS A 46 62.520 9.766 5.261 1.00 0.00 N ATOM 0 H LYS A 46 61.324 3.778 7.124 1.00 0.00 H new ATOM 0 HA LYS A 46 62.812 3.225 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 46 61.344 5.128 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 46 61.985 5.719 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 46 64.197 6.168 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.521 5.619 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.997 7.858 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 46 61.592 7.427 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 46 62.868 8.025 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 46 64.230 8.515 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 63.201 10.508 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.249 9.879 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 61.674 9.846 5.861 1.00 0.00 H new ATOM 721 N VAL A 47 64.607 4.913 6.926 1.00 0.00 N ATOM 722 CA VAL A 47 66.022 5.123 7.345 1.00 0.00 C ATOM 723 C VAL A 47 66.573 3.869 8.030 1.00 0.00 C ATOM 724 O VAL A 47 67.763 3.623 8.012 1.00 0.00 O ATOM 725 CB VAL A 47 66.097 6.311 8.303 1.00 0.00 C ATOM 726 CG1 VAL A 47 67.550 6.535 8.727 1.00 0.00 C ATOM 727 CG2 VAL A 47 65.574 7.567 7.594 1.00 0.00 C ATOM 0 H VAL A 47 63.927 5.534 7.365 1.00 0.00 H new ATOM 0 HA VAL A 47 66.625 5.326 6.460 1.00 0.00 H new ATOM 0 HB VAL A 47 65.489 6.107 9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 47 67.603 7.383 9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 47 67.925 5.642 9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 47 68.158 6.740 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 47 65.626 8.417 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 47 66.185 7.769 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 47 64.539 7.409 7.289 1.00 0.00 H new ATOM 737 N GLU A 48 65.735 3.067 8.632 1.00 0.00 N ATOM 738 CA GLU A 48 66.259 1.841 9.300 1.00 0.00 C ATOM 739 C GLU A 48 66.812 0.894 8.240 1.00 0.00 C ATOM 740 O GLU A 48 67.940 0.449 8.323 1.00 0.00 O ATOM 741 CB GLU A 48 65.148 1.138 10.077 1.00 0.00 C ATOM 742 CG GLU A 48 65.717 0.600 11.391 1.00 0.00 C ATOM 743 CD GLU A 48 64.736 0.883 12.530 1.00 0.00 C ATOM 744 OE1 GLU A 48 63.654 0.321 12.507 1.00 0.00 O ATOM 745 OE2 GLU A 48 65.084 1.657 13.406 1.00 0.00 O ATOM 0 H GLU A 48 64.726 3.204 8.690 1.00 0.00 H new ATOM 0 HA GLU A 48 67.047 2.126 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 48 64.332 1.833 10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 48 64.734 0.322 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 48 65.896 -0.472 11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 48 66.679 1.068 11.601 1.00 0.00 H new ATOM 752 N LEU A 49 66.038 0.588 7.233 1.00 0.00 N ATOM 753 CA LEU A 49 66.548 -0.320 6.173 1.00 0.00 C ATOM 754 C LEU A 49 67.729 0.366 5.488 1.00 0.00 C ATOM 755 O LEU A 49 68.588 -0.270 4.910 1.00 0.00 O ATOM 756 CB LEU A 49 65.431 -0.619 5.163 1.00 0.00 C ATOM 757 CG LEU A 49 65.323 0.509 4.133 1.00 0.00 C ATOM 758 CD1 LEU A 49 66.174 0.161 2.912 1.00 0.00 C ATOM 759 CD2 LEU A 49 63.860 0.668 3.706 1.00 0.00 C ATOM 0 H LEU A 49 65.084 0.925 7.102 1.00 0.00 H new ATOM 0 HA LEU A 49 66.874 -1.267 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 49 65.633 -1.563 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 49 64.481 -0.734 5.686 1.00 0.00 H new ATOM 0 HG LEU A 49 65.678 1.442 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.100 0.962 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.214 0.042 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.816 -0.770 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.780 1.470 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.507 -0.264 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 49 63.251 0.910 4.577 1.00 0.00 H new ATOM 771 N THR A 50 67.776 1.666 5.569 1.00 0.00 N ATOM 772 CA THR A 50 68.897 2.422 4.948 1.00 0.00 C ATOM 773 C THR A 50 70.189 2.115 5.702 1.00 0.00 C ATOM 774 O THR A 50 71.070 1.444 5.203 1.00 0.00 O ATOM 775 CB THR A 50 68.608 3.918 5.044 1.00 0.00 C ATOM 776 OG1 THR A 50 67.307 4.178 4.540 1.00 0.00 O ATOM 777 CG2 THR A 50 69.649 4.696 4.235 1.00 0.00 C ATOM 0 H THR A 50 67.080 2.241 6.043 1.00 0.00 H new ATOM 0 HA THR A 50 69.001 2.131 3.903 1.00 0.00 H new ATOM 0 HB THR A 50 68.660 4.235 6.085 1.00 0.00 H new ATOM 0 HG1 THR A 50 66.641 3.754 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 50 69.441 5.764 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 50 70.644 4.494 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 50 69.605 4.385 3.191 1.00 0.00 H new ATOM 785 N ARG A 51 70.307 2.606 6.906 1.00 0.00 N ATOM 786 CA ARG A 51 71.542 2.344 7.697 1.00 0.00 C ATOM 787 C ARG A 51 71.884 0.856 7.614 1.00 0.00 C ATOM 788 O ARG A 51 73.021 0.460 7.776 1.00 0.00 O ATOM 789 CB ARG A 51 71.335 2.741 9.168 1.00 0.00 C ATOM 790 CG ARG A 51 69.842 2.760 9.516 1.00 0.00 C ATOM 791 CD ARG A 51 69.661 2.440 11.000 1.00 0.00 C ATOM 792 NE ARG A 51 70.033 3.631 11.814 1.00 0.00 N ATOM 793 CZ ARG A 51 70.422 3.482 13.051 1.00 0.00 C ATOM 794 NH1 ARG A 51 69.545 3.243 13.986 1.00 0.00 N ATOM 795 NH2 ARG A 51 71.689 3.571 13.351 1.00 0.00 N ATOM 0 H ARG A 51 69.603 3.176 7.375 1.00 0.00 H new ATOM 0 HA ARG A 51 72.358 2.939 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 51 71.856 2.038 9.817 1.00 0.00 H new ATOM 0 HB3 ARG A 51 71.769 3.724 9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 51 69.417 3.738 9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 51 69.306 2.031 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 51 68.627 2.159 11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 51 70.282 1.588 11.278 1.00 0.00 H new ATOM 0 HE ARG A 51 69.984 4.564 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 51 68.555 3.172 13.751 1.00 0.00 H new ATOM 0 HH12 ARG A 51 69.849 3.127 14.953 1.00 0.00 H new ATOM 0 HH21 ARG A 51 72.375 3.757 12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 51 71.994 3.455 14.317 1.00 0.00 H new ATOM 809 N TYR A 52 70.908 0.028 7.358 1.00 0.00 N ATOM 810 CA TYR A 52 71.177 -1.433 7.259 1.00 0.00 C ATOM 811 C TYR A 52 72.128 -1.698 6.088 1.00 0.00 C ATOM 812 O TYR A 52 73.176 -2.290 6.250 1.00 0.00 O ATOM 813 CB TYR A 52 69.862 -2.181 7.029 1.00 0.00 C ATOM 814 CG TYR A 52 70.134 -3.665 6.948 1.00 0.00 C ATOM 815 CD1 TYR A 52 70.141 -4.441 8.114 1.00 0.00 C ATOM 816 CD2 TYR A 52 70.379 -4.263 5.707 1.00 0.00 C ATOM 817 CE1 TYR A 52 70.394 -5.816 8.038 1.00 0.00 C ATOM 818 CE2 TYR A 52 70.632 -5.638 5.631 1.00 0.00 C ATOM 819 CZ TYR A 52 70.639 -6.414 6.796 1.00 0.00 C ATOM 820 OH TYR A 52 70.886 -7.770 6.721 1.00 0.00 O ATOM 0 H TYR A 52 69.936 0.301 7.213 1.00 0.00 H new ATOM 0 HA TYR A 52 71.634 -1.782 8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 52 69.166 -1.972 7.841 1.00 0.00 H new ATOM 0 HB3 TYR A 52 69.391 -1.836 6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 52 69.951 -3.979 9.072 1.00 0.00 H new ATOM 0 HD2 TYR A 52 70.373 -3.664 4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 52 70.400 -6.415 8.937 1.00 0.00 H new ATOM 0 HE2 TYR A 52 70.822 -6.100 4.673 1.00 0.00 H new ATOM 0 HH TYR A 52 70.623 -8.197 7.563 1.00 0.00 H new ATOM 830 N LEU A 53 71.772 -1.264 4.909 1.00 0.00 N ATOM 831 CA LEU A 53 72.661 -1.495 3.734 1.00 0.00 C ATOM 832 C LEU A 53 73.960 -0.711 3.920 1.00 0.00 C ATOM 833 O LEU A 53 75.044 -1.242 3.775 1.00 0.00 O ATOM 834 CB LEU A 53 71.969 -1.020 2.453 1.00 0.00 C ATOM 835 CG LEU A 53 70.461 -1.254 2.552 1.00 0.00 C ATOM 836 CD1 LEU A 53 69.742 0.095 2.639 1.00 0.00 C ATOM 837 CD2 LEU A 53 69.980 -2.005 1.308 1.00 0.00 C ATOM 0 H LEU A 53 70.907 -0.761 4.709 1.00 0.00 H new ATOM 0 HA LEU A 53 72.877 -2.560 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 53 72.171 0.039 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.372 -1.555 1.593 1.00 0.00 H new ATOM 0 HG LEU A 53 70.242 -1.843 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 53 68.667 -0.070 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 53 70.085 0.634 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 53 69.961 0.682 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 53 68.905 -2.173 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.199 -1.414 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.493 -2.964 1.241 1.00 0.00 H new ATOM 849 N GLY A 54 73.858 0.550 4.235 1.00 0.00 N ATOM 850 CA GLY A 54 75.082 1.376 4.425 1.00 0.00 C ATOM 851 C GLY A 54 75.055 2.551 3.444 1.00 0.00 C ATOM 852 O GLY A 54 73.997 2.991 3.038 1.00 0.00 O ATOM 0 H GLY A 54 72.977 1.045 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 54 75.131 1.744 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 54 75.973 0.770 4.261 1.00 0.00 H new ATOM 856 N PRO A 55 76.222 3.023 3.090 1.00 0.00 N ATOM 857 CA PRO A 55 76.370 4.149 2.154 1.00 0.00 C ATOM 858 C PRO A 55 76.162 3.677 0.711 1.00 0.00 C ATOM 859 O PRO A 55 76.068 4.471 -0.204 1.00 0.00 O ATOM 860 CB PRO A 55 77.812 4.612 2.375 1.00 0.00 C ATOM 861 CG PRO A 55 78.569 3.407 2.982 1.00 0.00 C ATOM 862 CD PRO A 55 77.501 2.480 3.592 1.00 0.00 C ATOM 0 HA PRO A 55 75.642 4.943 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 55 78.268 4.924 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 55 77.846 5.470 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 55 79.144 2.885 2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 55 79.276 3.737 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.645 1.446 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 55 77.539 2.491 4.681 1.00 0.00 H new ATOM 870 N ALA A 56 76.087 2.391 0.503 1.00 0.00 N ATOM 871 CA ALA A 56 75.883 1.871 -0.879 1.00 0.00 C ATOM 872 C ALA A 56 74.429 2.096 -1.294 1.00 0.00 C ATOM 873 O ALA A 56 74.112 2.187 -2.463 1.00 0.00 O ATOM 874 CB ALA A 56 76.199 0.375 -0.915 1.00 0.00 C ATOM 0 H ALA A 56 76.158 1.678 1.229 1.00 0.00 H new ATOM 0 HA ALA A 56 76.545 2.396 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 56 76.050 -0.004 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 56 77.235 0.215 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 56 75.538 -0.153 -0.228 1.00 0.00 H new ATOM 880 N CYS A 57 73.542 2.191 -0.342 1.00 0.00 N ATOM 881 CA CYS A 57 72.109 2.416 -0.676 1.00 0.00 C ATOM 882 C CYS A 57 71.594 3.615 0.122 1.00 0.00 C ATOM 883 O CYS A 57 71.191 3.488 1.261 1.00 0.00 O ATOM 884 CB CYS A 57 71.300 1.169 -0.314 1.00 0.00 C ATOM 885 SG CYS A 57 71.593 -0.117 -1.554 1.00 0.00 S ATOM 0 H CYS A 57 73.749 2.122 0.654 1.00 0.00 H new ATOM 0 HA CYS A 57 72.003 2.614 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 57 71.587 0.809 0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 57 70.238 1.411 -0.269 1.00 0.00 H new ATOM 0 HG CYS A 57 72.583 0.235 -2.319 1.00 0.00 H new ATOM 891 N ASP A 58 71.616 4.780 -0.464 1.00 0.00 N ATOM 892 CA ASP A 58 71.142 5.990 0.264 1.00 0.00 C ATOM 893 C ASP A 58 69.614 6.018 0.301 1.00 0.00 C ATOM 894 O ASP A 58 68.947 5.412 -0.514 1.00 0.00 O ATOM 895 CB ASP A 58 71.657 7.245 -0.444 1.00 0.00 C ATOM 896 CG ASP A 58 73.143 7.079 -0.763 1.00 0.00 C ATOM 897 OD1 ASP A 58 73.717 6.096 -0.324 1.00 0.00 O ATOM 898 OD2 ASP A 58 73.683 7.938 -1.442 1.00 0.00 O ATOM 0 H ASP A 58 71.942 4.946 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 58 71.522 5.961 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 58 71.094 7.414 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 58 71.506 8.120 0.188 1.00 0.00 H new ATOM 903 N LEU A 59 69.059 6.720 1.251 1.00 0.00 N ATOM 904 CA LEU A 59 67.578 6.799 1.368 1.00 0.00 C ATOM 905 C LEU A 59 67.199 8.127 2.025 1.00 0.00 C ATOM 906 O LEU A 59 66.308 8.190 2.849 1.00 0.00 O ATOM 907 CB LEU A 59 67.089 5.648 2.241 1.00 0.00 C ATOM 908 CG LEU A 59 66.920 4.395 1.386 1.00 0.00 C ATOM 909 CD1 LEU A 59 68.126 3.472 1.578 1.00 0.00 C ATOM 910 CD2 LEU A 59 65.650 3.663 1.817 1.00 0.00 C ATOM 0 H LEU A 59 69.574 7.246 1.957 1.00 0.00 H new ATOM 0 HA LEU A 59 67.121 6.734 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 59 67.801 5.459 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 59 66.141 5.911 2.710 1.00 0.00 H new ATOM 0 HG LEU A 59 66.847 4.678 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 59 68.002 2.579 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 59 69.035 3.994 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 68.202 3.186 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 59 65.523 2.767 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 59 65.731 3.382 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.789 4.318 1.682 1.00 0.00 H new ATOM 922 N THR A 60 67.882 9.181 1.673 1.00 0.00 N ATOM 923 CA THR A 60 67.585 10.513 2.275 1.00 0.00 C ATOM 924 C THR A 60 66.075 10.692 2.458 1.00 0.00 C ATOM 925 O THR A 60 65.619 11.148 3.487 1.00 0.00 O ATOM 926 CB THR A 60 68.123 11.617 1.360 1.00 0.00 C ATOM 927 OG1 THR A 60 67.470 12.842 1.666 1.00 0.00 O ATOM 928 CG2 THR A 60 67.864 11.251 -0.104 1.00 0.00 C ATOM 0 H THR A 60 68.639 9.177 0.989 1.00 0.00 H new ATOM 0 HA THR A 60 68.067 10.574 3.251 1.00 0.00 H new ATOM 0 HB THR A 60 69.196 11.724 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 60 67.078 13.217 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 60 68.249 12.040 -0.750 1.00 0.00 H new ATOM 0 HG22 THR A 60 68.366 10.313 -0.339 1.00 0.00 H new ATOM 0 HG23 THR A 60 66.792 11.139 -0.267 1.00 0.00 H new ATOM 936 N LEU A 61 65.295 10.342 1.472 1.00 0.00 N ATOM 937 CA LEU A 61 63.818 10.502 1.603 1.00 0.00 C ATOM 938 C LEU A 61 63.110 9.326 0.934 1.00 0.00 C ATOM 939 O LEU A 61 62.036 9.466 0.383 1.00 0.00 O ATOM 940 CB LEU A 61 63.389 11.802 0.926 1.00 0.00 C ATOM 941 CG LEU A 61 64.416 12.889 1.231 1.00 0.00 C ATOM 942 CD1 LEU A 61 64.109 14.131 0.393 1.00 0.00 C ATOM 943 CD2 LEU A 61 64.354 13.243 2.719 1.00 0.00 C ATOM 0 H LEU A 61 65.614 9.954 0.585 1.00 0.00 H new ATOM 0 HA LEU A 61 63.550 10.531 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 61 63.306 11.655 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 61 62.405 12.104 1.283 1.00 0.00 H new ATOM 0 HG LEU A 61 65.415 12.527 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 64.842 14.907 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 61 64.154 13.876 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 61 63.111 14.496 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 61 65.087 14.019 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 63.356 13.606 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 61 64.575 12.356 3.313 1.00 0.00 H new ATOM 955 N PHE A 62 63.700 8.168 0.979 1.00 0.00 N ATOM 956 CA PHE A 62 63.061 6.983 0.348 1.00 0.00 C ATOM 957 C PHE A 62 61.590 6.912 0.761 1.00 0.00 C ATOM 958 O PHE A 62 61.268 6.755 1.922 1.00 0.00 O ATOM 959 CB PHE A 62 63.782 5.720 0.813 1.00 0.00 C ATOM 960 CG PHE A 62 63.460 4.582 -0.119 1.00 0.00 C ATOM 961 CD1 PHE A 62 62.206 3.966 -0.062 1.00 0.00 C ATOM 962 CD2 PHE A 62 64.417 4.139 -1.036 1.00 0.00 C ATOM 963 CE1 PHE A 62 61.909 2.905 -0.922 1.00 0.00 C ATOM 964 CE2 PHE A 62 64.121 3.079 -1.897 1.00 0.00 C ATOM 965 CZ PHE A 62 62.866 2.461 -1.841 1.00 0.00 C ATOM 0 H PHE A 62 64.599 7.990 1.426 1.00 0.00 H new ATOM 0 HA PHE A 62 63.126 7.066 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 62 64.858 5.891 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 62 63.478 5.469 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 62 61.467 4.310 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 62 65.385 4.616 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 62 60.941 2.428 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 62 64.860 2.736 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 62 62.637 1.642 -2.507 1.00 0.00 H new ATOM 975 N ASP A 63 60.693 7.015 -0.181 1.00 0.00 N ATOM 976 CA ASP A 63 59.246 6.939 0.162 1.00 0.00 C ATOM 977 C ASP A 63 58.870 5.472 0.346 1.00 0.00 C ATOM 978 O ASP A 63 58.712 4.736 -0.608 1.00 0.00 O ATOM 979 CB ASP A 63 58.414 7.547 -0.970 1.00 0.00 C ATOM 980 CG ASP A 63 57.869 8.908 -0.530 1.00 0.00 C ATOM 981 OD1 ASP A 63 57.795 9.136 0.667 1.00 0.00 O ATOM 982 OD2 ASP A 63 57.536 9.699 -1.397 1.00 0.00 O ATOM 0 H ASP A 63 60.899 7.148 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 63 59.050 7.494 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 63 59.026 7.661 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 63 57.591 6.881 -1.229 1.00 0.00 H new ATOM 987 N PHE A 64 58.746 5.034 1.566 1.00 0.00 N ATOM 988 CA PHE A 64 58.405 3.608 1.814 1.00 0.00 C ATOM 989 C PHE A 64 56.979 3.330 1.330 1.00 0.00 C ATOM 990 O PHE A 64 56.110 2.971 2.099 1.00 0.00 O ATOM 991 CB PHE A 64 58.508 3.319 3.313 1.00 0.00 C ATOM 992 CG PHE A 64 59.186 1.986 3.521 1.00 0.00 C ATOM 993 CD1 PHE A 64 58.766 0.862 2.800 1.00 0.00 C ATOM 994 CD2 PHE A 64 60.245 1.877 4.431 1.00 0.00 C ATOM 995 CE1 PHE A 64 59.404 -0.370 2.992 1.00 0.00 C ATOM 996 CE2 PHE A 64 60.882 0.646 4.620 1.00 0.00 C ATOM 997 CZ PHE A 64 60.461 -0.477 3.901 1.00 0.00 C ATOM 0 H PHE A 64 58.866 5.603 2.404 1.00 0.00 H new ATOM 0 HA PHE A 64 59.098 2.965 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 64 59.073 4.108 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 64 57.515 3.308 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 64 57.951 0.945 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 64 60.570 2.744 4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 64 59.079 -1.238 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 64 61.699 0.563 5.321 1.00 0.00 H new ATOM 0 HZ PHE A 64 60.952 -1.427 4.048 1.00 0.00 H new ATOM 1007 N LYS A 65 56.734 3.491 0.056 1.00 0.00 N ATOM 1008 CA LYS A 65 55.367 3.235 -0.482 1.00 0.00 C ATOM 1009 C LYS A 65 55.299 3.689 -1.942 1.00 0.00 C ATOM 1010 O LYS A 65 54.567 3.136 -2.739 1.00 0.00 O ATOM 1011 CB LYS A 65 54.335 4.007 0.343 1.00 0.00 C ATOM 1012 CG LYS A 65 54.791 5.457 0.508 1.00 0.00 C ATOM 1013 CD LYS A 65 54.320 5.989 1.864 1.00 0.00 C ATOM 1014 CE LYS A 65 53.358 7.157 1.647 1.00 0.00 C ATOM 1015 NZ LYS A 65 54.137 8.410 1.443 1.00 0.00 N ATOM 0 H LYS A 65 57.423 3.789 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 65 55.150 2.168 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 65 53.363 3.975 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 65 54.213 3.540 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 65 55.877 5.518 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 65 54.385 6.071 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 65 53.826 5.196 2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 65 55.175 6.314 2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 65 52.725 6.965 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 65 52.697 7.263 2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 53.483 9.205 1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 54.723 8.595 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 54.750 8.306 0.609 1.00 0.00 H new ATOM 1029 N GLN A 66 56.057 4.689 -2.301 1.00 0.00 N ATOM 1030 CA GLN A 66 56.035 5.172 -3.711 1.00 0.00 C ATOM 1031 C GLN A 66 57.235 4.595 -4.465 1.00 0.00 C ATOM 1032 O GLN A 66 57.119 4.155 -5.592 1.00 0.00 O ATOM 1033 CB GLN A 66 56.103 6.701 -3.731 1.00 0.00 C ATOM 1034 CG GLN A 66 54.796 7.276 -3.183 1.00 0.00 C ATOM 1035 CD GLN A 66 54.812 8.801 -3.309 1.00 0.00 C ATOM 1036 OE1 GLN A 66 53.775 9.433 -3.302 1.00 0.00 O ATOM 1037 NE2 GLN A 66 55.954 9.423 -3.426 1.00 0.00 N ATOM 0 H GLN A 66 56.690 5.192 -1.679 1.00 0.00 H new ATOM 0 HA GLN A 66 55.113 4.846 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 66 56.945 7.046 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 66 56.270 7.055 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 66 53.948 6.865 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 66 54.670 6.989 -2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 66 56.825 8.893 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 66 55.975 10.439 -3.511 1.00 0.00 H new ATOM 1046 N GLY A 67 58.387 4.587 -3.850 1.00 0.00 N ATOM 1047 CA GLY A 67 59.592 4.032 -4.531 1.00 0.00 C ATOM 1048 C GLY A 67 60.462 5.175 -5.056 1.00 0.00 C ATOM 1049 O GLY A 67 61.139 5.043 -6.056 1.00 0.00 O ATOM 0 H GLY A 67 58.546 4.940 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 67 60.164 3.417 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 67 59.290 3.385 -5.354 1.00 0.00 H new ATOM 1053 N ILE A 68 60.450 6.297 -4.390 1.00 0.00 N ATOM 1054 CA ILE A 68 61.278 7.446 -4.854 1.00 0.00 C ATOM 1055 C ILE A 68 61.901 8.150 -3.646 1.00 0.00 C ATOM 1056 O ILE A 68 61.671 7.778 -2.512 1.00 0.00 O ATOM 1057 CB ILE A 68 60.392 8.434 -5.617 1.00 0.00 C ATOM 1058 CG1 ILE A 68 59.111 8.688 -4.818 1.00 0.00 C ATOM 1059 CG2 ILE A 68 60.031 7.849 -6.983 1.00 0.00 C ATOM 1060 CD1 ILE A 68 59.342 9.838 -3.835 1.00 0.00 C ATOM 0 H ILE A 68 59.904 6.468 -3.546 1.00 0.00 H new ATOM 0 HA ILE A 68 62.069 7.082 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 68 60.930 9.372 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 68 58.291 8.932 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 68 58.822 7.786 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 68 59.400 8.553 -7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 68 60.942 7.665 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 68 59.493 6.911 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 68 58.430 10.019 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 68 60.150 9.576 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 68 59.611 10.739 -4.386 1.00 0.00 H new ATOM 1072 N LEU A 69 62.686 9.166 -3.881 1.00 0.00 N ATOM 1073 CA LEU A 69 63.322 9.899 -2.748 1.00 0.00 C ATOM 1074 C LEU A 69 63.862 11.237 -3.248 1.00 0.00 C ATOM 1075 O LEU A 69 63.699 11.593 -4.399 1.00 0.00 O ATOM 1076 CB LEU A 69 64.479 9.073 -2.183 1.00 0.00 C ATOM 1077 CG LEU A 69 65.505 8.813 -3.285 1.00 0.00 C ATOM 1078 CD1 LEU A 69 66.910 8.779 -2.680 1.00 0.00 C ATOM 1079 CD2 LEU A 69 65.205 7.467 -3.942 1.00 0.00 C ATOM 0 H LEU A 69 62.915 9.521 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 69 62.579 10.068 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.947 9.603 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 69 64.106 8.128 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 69 65.450 9.608 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.641 8.593 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 69 67.124 9.736 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.967 7.983 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.934 7.276 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.263 6.676 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.204 7.487 -4.372 1.00 0.00 H new ATOM 1091 N CYS A 70 64.510 11.981 -2.394 1.00 0.00 N ATOM 1092 CA CYS A 70 65.066 13.294 -2.826 1.00 0.00 C ATOM 1093 C CYS A 70 66.159 13.734 -1.848 1.00 0.00 C ATOM 1094 O CYS A 70 66.306 13.181 -0.777 1.00 0.00 O ATOM 1095 CB CYS A 70 63.949 14.340 -2.850 1.00 0.00 C ATOM 1096 SG CYS A 70 64.108 15.357 -4.339 1.00 0.00 S ATOM 0 H CYS A 70 64.678 11.737 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 70 65.492 13.196 -3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 70 62.976 13.849 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 70 64.004 14.967 -1.960 1.00 0.00 H new ATOM 0 HG CYS A 70 63.158 16.244 -4.362 1.00 0.00 H new ATOM 1102 N TYR A 71 66.931 14.722 -2.209 1.00 0.00 N ATOM 1103 CA TYR A 71 68.017 15.191 -1.301 1.00 0.00 C ATOM 1104 C TYR A 71 67.483 16.229 -0.299 1.00 0.00 C ATOM 1105 O TYR A 71 67.799 16.160 0.872 1.00 0.00 O ATOM 1106 CB TYR A 71 69.144 15.817 -2.127 1.00 0.00 C ATOM 1107 CG TYR A 71 70.429 15.782 -1.334 1.00 0.00 C ATOM 1108 CD1 TYR A 71 71.133 14.580 -1.190 1.00 0.00 C ATOM 1109 CD2 TYR A 71 70.916 16.953 -0.740 1.00 0.00 C ATOM 1110 CE1 TYR A 71 72.323 14.549 -0.454 1.00 0.00 C ATOM 1111 CE2 TYR A 71 72.106 16.922 -0.003 1.00 0.00 C ATOM 1112 CZ TYR A 71 72.810 15.720 0.140 1.00 0.00 C ATOM 1113 OH TYR A 71 73.982 15.690 0.867 1.00 0.00 O ATOM 0 H TYR A 71 66.857 15.225 -3.093 1.00 0.00 H new ATOM 0 HA TYR A 71 68.396 14.333 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 71 69.267 15.274 -3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 71 68.892 16.845 -2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 71 70.757 13.676 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 71 70.373 17.880 -0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 71 72.866 13.622 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 71 72.481 17.825 0.455 1.00 0.00 H new ATOM 0 HH TYR A 71 74.178 16.587 1.210 1.00 0.00 H new ATOM 1123 N PRO A 72 66.705 17.171 -0.781 1.00 0.00 N ATOM 1124 CA PRO A 72 66.142 18.238 0.067 1.00 0.00 C ATOM 1125 C PRO A 72 64.908 17.739 0.828 1.00 0.00 C ATOM 1126 O PRO A 72 64.691 16.554 0.974 1.00 0.00 O ATOM 1127 CB PRO A 72 65.756 19.326 -0.937 1.00 0.00 C ATOM 1128 CG PRO A 72 65.585 18.621 -2.304 1.00 0.00 C ATOM 1129 CD PRO A 72 66.312 17.267 -2.202 1.00 0.00 C ATOM 0 HA PRO A 72 66.841 18.588 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 72 64.832 19.820 -0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 72 66.526 20.095 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 72 64.530 18.476 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 66.007 19.226 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 72 65.660 16.443 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 72 67.181 17.232 -2.859 1.00 0.00 H new ATOM 1137 N ALA A 73 64.101 18.643 1.313 1.00 0.00 N ATOM 1138 CA ALA A 73 62.880 18.237 2.066 1.00 0.00 C ATOM 1139 C ALA A 73 63.233 17.149 3.086 1.00 0.00 C ATOM 1140 O ALA A 73 62.710 16.054 3.024 1.00 0.00 O ATOM 1141 CB ALA A 73 61.836 17.697 1.087 1.00 0.00 C ATOM 0 H ALA A 73 64.236 19.650 1.220 1.00 0.00 H new ATOM 0 HA ALA A 73 62.478 19.103 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 73 60.942 17.400 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 73 61.578 18.473 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 73 62.243 16.833 0.561 1.00 0.00 H new ATOM 1147 N PRO A 74 64.107 17.486 4.000 1.00 0.00 N ATOM 1148 CA PRO A 74 64.548 16.558 5.056 1.00 0.00 C ATOM 1149 C PRO A 74 63.498 16.481 6.169 1.00 0.00 C ATOM 1150 O PRO A 74 62.574 17.268 6.219 1.00 0.00 O ATOM 1151 CB PRO A 74 65.842 17.193 5.573 1.00 0.00 C ATOM 1152 CG PRO A 74 65.768 18.694 5.205 1.00 0.00 C ATOM 1153 CD PRO A 74 64.740 18.820 4.065 1.00 0.00 C ATOM 0 HA PRO A 74 64.691 15.538 4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 74 65.936 17.061 6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 74 66.714 16.724 5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 74 65.465 19.289 6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 74 66.744 19.064 4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 74 64.007 19.599 4.274 1.00 0.00 H new ATOM 0 HD3 PRO A 74 65.221 19.079 3.122 1.00 0.00 H new ATOM 1161 N LYS A 75 63.634 15.540 7.064 1.00 0.00 N ATOM 1162 CA LYS A 75 62.645 15.419 8.174 1.00 0.00 C ATOM 1163 C LYS A 75 63.366 15.565 9.515 1.00 0.00 C ATOM 1164 O LYS A 75 63.947 16.614 9.742 1.00 0.00 O ATOM 1165 CB LYS A 75 61.964 14.050 8.110 1.00 0.00 C ATOM 1166 CG LYS A 75 60.611 14.184 7.408 1.00 0.00 C ATOM 1167 CD LYS A 75 59.499 13.707 8.345 1.00 0.00 C ATOM 1168 CE LYS A 75 58.155 13.777 7.619 1.00 0.00 C ATOM 1169 NZ LYS A 75 57.197 12.825 8.252 1.00 0.00 N ATOM 1170 OXT LYS A 75 63.326 14.625 10.292 1.00 0.00 O ATOM 0 H LYS A 75 64.386 14.851 7.075 1.00 0.00 H new ATOM 0 HA LYS A 75 61.893 16.202 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 75 62.596 13.343 7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 75 61.826 13.654 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 75 60.439 15.222 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 75 60.606 13.595 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 75 59.696 12.685 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 75 59.473 14.327 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 75 57.758 14.791 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 75 58.286 13.531 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 56.283 12.873 7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 57.575 11.858 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 57.064 13.079 9.252 1.00 0.00 H new TER 1184 LYS A 75