USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 66 LYS NZ :NH3+ 173:sc= 0.532 (180deg=-0.0501) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.912 K(o=1.4,f=-3.6) USER MOD Set 2.1: A 42 SER OG : rot 101:sc= 0.0856 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.132 K(o=0.22,f=-5.2!) USER MOD Set 3.1: A 33 LYS NZ :NH3+ 151:sc= 1.5 (180deg=0.22) USER MOD Set 3.2: A 64 THR OG1 : rot 86:sc= -0.265 USER MOD Set 4.1: A 27 TYR OH : rot -71:sc= 0.705 USER MOD Set 4.2: A 55 LYS NZ :NH3+ 172:sc= 2.05 (180deg=0.921) USER MOD Set 5.1: A 10 SER OG : rot -76:sc= 1.76 USER MOD Set 5.2: A 12 SER OG : rot -113:sc= 0.808 USER MOD Single : A 1 GLY N :NH3+ -151:sc= 0.687 (180deg=-1.64!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -30:sc= 0.234 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -131:sc= 0.273 USER MOD Single : A 26 SER OG : rot 8:sc= 1.01 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.956! (180deg=-2.61!) USER MOD Single : A 40 TYR OH : rot -102:sc= 0.47 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.471 K(o=-0.47,f=-4.4!) USER MOD Single : A 49 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=-0.066) USER MOD Single : A 53 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 54 ASN : amide:sc= -4.38! C(o=-4.4!,f=-12!) USER MOD Single : A 61 ASN : amide:sc= 0.271 K(o=0.27,f=-2.7!) USER MOD Single : A 70 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.99) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.061 -0.916 -4.193 1.00 4.11 N ATOM 2 CA GLY A 1 1.723 -1.543 -4.159 1.00 52.42 C ATOM 3 C GLY A 1 1.538 -2.527 -5.301 1.00 50.12 C ATOM 4 O GLY A 1 0.552 -2.457 -6.059 1.00 34.45 O ATOM 0 H1 GLY A 1 3.351 -0.665 -3.226 1.00 4.11 H new ATOM 0 H2 GLY A 1 3.747 -1.584 -4.598 1.00 4.11 H new ATOM 0 H3 GLY A 1 3.027 -0.057 -4.779 1.00 4.11 H new ATOM 0 HA2 GLY A 1 1.586 -2.058 -3.208 1.00 52.42 H new ATOM 0 HA3 GLY A 1 0.957 -0.770 -4.216 1.00 52.42 H new ATOM 5 N CYS A 2 2.478 -3.414 -5.437 1.00 11.33 N ATOM 6 CA CYS A 2 2.506 -4.401 -6.472 1.00 45.25 C ATOM 7 C CYS A 2 1.996 -5.743 -5.926 1.00 40.24 C ATOM 8 O CYS A 2 2.585 -6.304 -5.028 1.00 54.01 O ATOM 9 CB CYS A 2 3.946 -4.554 -6.948 1.00 4.34 C ATOM 10 SG CYS A 2 4.763 -3.013 -7.545 1.00 55.12 S ATOM 0 H CYS A 2 3.277 -3.471 -4.805 1.00 11.33 H new ATOM 0 HA CYS A 2 1.866 -4.094 -7.299 1.00 45.25 H new ATOM 0 HB2 CYS A 2 4.538 -4.962 -6.129 1.00 4.34 H new ATOM 0 HB3 CYS A 2 3.966 -5.289 -7.753 1.00 4.34 H new ATOM 11 N PHE A 3 0.894 -6.238 -6.469 1.00 30.31 N ATOM 12 CA PHE A 3 0.294 -7.470 -5.969 1.00 52.30 C ATOM 13 C PHE A 3 0.967 -8.776 -6.471 1.00 23.11 C ATOM 14 O PHE A 3 1.343 -9.613 -5.658 1.00 13.22 O ATOM 15 CB PHE A 3 -1.245 -7.499 -6.175 1.00 60.24 C ATOM 16 CG PHE A 3 -1.712 -7.533 -7.618 1.00 3.25 C ATOM 17 CD1 PHE A 3 -1.619 -6.401 -8.415 1.00 5.50 C ATOM 18 CD2 PHE A 3 -2.243 -8.684 -8.167 1.00 5.23 C ATOM 19 CE1 PHE A 3 -2.049 -6.424 -9.726 1.00 74.12 C ATOM 20 CE2 PHE A 3 -2.675 -8.712 -9.478 1.00 73.44 C ATOM 21 CZ PHE A 3 -2.579 -7.582 -10.258 1.00 2.42 C ATOM 0 H PHE A 3 0.398 -5.810 -7.251 1.00 30.31 H new ATOM 0 HA PHE A 3 0.490 -7.450 -4.897 1.00 52.30 H new ATOM 0 HB2 PHE A 3 -1.646 -8.373 -5.661 1.00 60.24 H new ATOM 0 HB3 PHE A 3 -1.675 -6.621 -5.693 1.00 60.24 H new ATOM 0 HD1 PHE A 3 -1.205 -5.492 -8.005 1.00 5.50 H new ATOM 0 HD2 PHE A 3 -2.321 -9.575 -7.562 1.00 5.23 H new ATOM 0 HE1 PHE A 3 -1.971 -5.536 -10.336 1.00 74.12 H new ATOM 0 HE2 PHE A 3 -3.088 -9.620 -9.891 1.00 73.44 H new ATOM 0 HZ PHE A 3 -2.917 -7.601 -11.283 1.00 2.42 H new ATOM 22 N GLU A 4 1.141 -8.913 -7.795 1.00 21.21 N ATOM 23 CA GLU A 4 1.619 -10.164 -8.420 1.00 45.11 C ATOM 24 C GLU A 4 2.886 -10.758 -7.861 1.00 11.12 C ATOM 25 O GLU A 4 2.947 -11.946 -7.688 1.00 44.33 O ATOM 26 CB GLU A 4 1.623 -10.131 -9.953 1.00 25.44 C ATOM 27 CG GLU A 4 0.270 -10.457 -10.591 1.00 42.03 C ATOM 28 CD GLU A 4 -0.178 -11.903 -10.329 1.00 61.25 C ATOM 29 OE1 GLU A 4 0.327 -12.822 -11.002 1.00 44.41 O ATOM 30 OE2 GLU A 4 -1.035 -12.139 -9.456 1.00 53.54 O ATOM 0 H GLU A 4 0.956 -8.165 -8.463 1.00 21.21 H new ATOM 0 HA GLU A 4 0.846 -10.869 -8.114 1.00 45.11 H new ATOM 0 HB2 GLU A 4 1.939 -9.141 -10.283 1.00 25.44 H new ATOM 0 HB3 GLU A 4 2.365 -10.841 -10.319 1.00 25.44 H new ATOM 0 HG2 GLU A 4 -0.484 -9.772 -10.203 1.00 42.03 H new ATOM 0 HG3 GLU A 4 0.330 -10.289 -11.666 1.00 42.03 H new ATOM 31 N ASP A 5 3.895 -9.979 -7.615 1.00 34.32 N ATOM 32 CA ASP A 5 5.086 -10.559 -7.000 1.00 2.11 C ATOM 33 C ASP A 5 4.949 -10.631 -5.499 1.00 53.43 C ATOM 34 O ASP A 5 4.905 -11.712 -4.913 1.00 74.03 O ATOM 35 CB ASP A 5 6.334 -9.785 -7.359 1.00 74.32 C ATOM 36 CG ASP A 5 7.568 -10.272 -6.615 1.00 45.40 C ATOM 37 OD1 ASP A 5 8.175 -11.250 -7.055 1.00 43.35 O ATOM 38 OD2 ASP A 5 7.924 -9.654 -5.580 1.00 44.14 O ATOM 0 H ASP A 5 3.937 -8.980 -7.814 1.00 34.32 H new ATOM 0 HA ASP A 5 5.181 -11.571 -7.395 1.00 2.11 H new ATOM 0 HB2 ASP A 5 6.508 -9.864 -8.432 1.00 74.32 H new ATOM 0 HB3 ASP A 5 6.176 -8.729 -7.139 1.00 74.32 H new ATOM 39 N TRP A 6 4.751 -9.468 -4.904 1.00 43.54 N ATOM 40 CA TRP A 6 4.780 -9.302 -3.461 1.00 0.13 C ATOM 41 C TRP A 6 3.789 -10.209 -2.700 1.00 63.13 C ATOM 42 O TRP A 6 4.164 -10.911 -1.758 1.00 13.33 O ATOM 43 CB TRP A 6 4.659 -7.798 -3.112 1.00 10.21 C ATOM 44 CG TRP A 6 3.838 -7.408 -1.890 1.00 62.20 C ATOM 45 CD1 TRP A 6 2.679 -6.688 -1.901 1.00 10.04 C ATOM 46 CD2 TRP A 6 4.112 -7.692 -0.501 1.00 33.24 C ATOM 47 NE1 TRP A 6 2.227 -6.492 -0.625 1.00 73.30 N ATOM 48 CE2 TRP A 6 3.083 -7.097 0.252 1.00 22.34 C ATOM 49 CE3 TRP A 6 5.116 -8.383 0.173 1.00 22.55 C ATOM 50 CZ2 TRP A 6 3.038 -7.168 1.642 1.00 62.15 C ATOM 51 CZ3 TRP A 6 5.071 -8.457 1.550 1.00 60.51 C ATOM 52 CH2 TRP A 6 4.042 -7.851 2.271 1.00 73.42 C ATOM 0 H TRP A 6 4.564 -8.604 -5.413 1.00 43.54 H new ATOM 0 HA TRP A 6 5.747 -9.654 -3.102 1.00 0.13 H new ATOM 0 HB2 TRP A 6 5.667 -7.405 -2.976 1.00 10.21 H new ATOM 0 HB3 TRP A 6 4.233 -7.289 -3.976 1.00 10.21 H new ATOM 0 HD1 TRP A 6 2.188 -6.324 -2.791 1.00 10.04 H new ATOM 0 HE1 TRP A 6 1.385 -5.976 -0.369 1.00 73.30 H new ATOM 0 HE3 TRP A 6 5.919 -8.854 -0.375 1.00 22.55 H new ATOM 0 HZ2 TRP A 6 2.241 -6.702 2.202 1.00 62.15 H new ATOM 0 HZ3 TRP A 6 5.845 -8.993 2.079 1.00 60.51 H new ATOM 0 HH2 TRP A 6 4.038 -7.923 3.349 1.00 73.42 H new ATOM 53 N SER A 7 2.568 -10.241 -3.142 1.00 45.22 N ATOM 54 CA SER A 7 1.545 -11.002 -2.476 1.00 32.04 C ATOM 55 C SER A 7 1.559 -12.476 -2.874 1.00 35.41 C ATOM 56 O SER A 7 0.917 -13.301 -2.234 1.00 12.02 O ATOM 57 CB SER A 7 0.198 -10.394 -2.726 1.00 60.21 C ATOM 58 OG SER A 7 0.197 -9.022 -2.346 1.00 54.10 O ATOM 0 H SER A 7 2.249 -9.742 -3.973 1.00 45.22 H new ATOM 0 HA SER A 7 1.759 -10.965 -1.408 1.00 32.04 H new ATOM 0 HB2 SER A 7 -0.060 -10.486 -3.781 1.00 60.21 H new ATOM 0 HB3 SER A 7 -0.563 -10.935 -2.163 1.00 60.21 H new ATOM 0 HG SER A 7 -0.688 -8.636 -2.516 1.00 54.10 H new ATOM 59 N ARG A 8 2.255 -12.800 -3.949 1.00 41.34 N ATOM 60 CA ARG A 8 2.259 -14.157 -4.485 1.00 1.24 C ATOM 61 C ARG A 8 2.829 -15.127 -3.466 1.00 31.12 C ATOM 62 O ARG A 8 2.366 -16.252 -3.350 1.00 34.20 O ATOM 63 CB ARG A 8 3.059 -14.201 -5.790 1.00 52.33 C ATOM 64 CG ARG A 8 2.639 -15.282 -6.792 1.00 14.20 C ATOM 65 CD ARG A 8 3.009 -16.676 -6.355 1.00 23.35 C ATOM 66 NE ARG A 8 2.637 -17.669 -7.356 1.00 55.32 N ATOM 67 CZ ARG A 8 3.319 -18.781 -7.605 1.00 4.45 C ATOM 68 NH1 ARG A 8 4.455 -19.024 -6.969 1.00 63.44 N ATOM 69 NH2 ARG A 8 2.867 -19.641 -8.512 1.00 12.31 N ATOM 0 H ARG A 8 2.829 -12.140 -4.474 1.00 41.34 H new ATOM 0 HA ARG A 8 1.233 -14.458 -4.699 1.00 1.24 H new ATOM 0 HB2 ARG A 8 2.978 -13.229 -6.277 1.00 52.33 H new ATOM 0 HB3 ARG A 8 4.111 -14.348 -5.545 1.00 52.33 H new ATOM 0 HG2 ARG A 8 1.561 -15.230 -6.941 1.00 14.20 H new ATOM 0 HG3 ARG A 8 3.105 -15.075 -7.756 1.00 14.20 H new ATOM 0 HD2 ARG A 8 4.082 -16.728 -6.172 1.00 23.35 H new ATOM 0 HD3 ARG A 8 2.513 -16.906 -5.412 1.00 23.35 H new ATOM 0 HE ARG A 8 1.794 -17.497 -7.903 1.00 55.32 H new ATOM 0 HH11 ARG A 8 4.809 -18.356 -6.285 1.00 63.44 H new ATOM 0 HH12 ARG A 8 4.975 -19.879 -7.163 1.00 63.44 H new ATOM 0 HH21 ARG A 8 2.000 -19.445 -9.013 1.00 12.31 H new ATOM 0 HH22 ARG A 8 3.387 -20.497 -8.707 1.00 12.31 H new ATOM 70 N CYS A 9 3.779 -14.681 -2.699 1.00 2.03 N ATOM 71 CA CYS A 9 4.378 -15.556 -1.740 1.00 61.13 C ATOM 72 C CYS A 9 4.005 -15.131 -0.334 1.00 62.14 C ATOM 73 O CYS A 9 4.497 -15.695 0.644 1.00 75.14 O ATOM 74 CB CYS A 9 5.899 -15.601 -1.919 1.00 31.45 C ATOM 75 SG CYS A 9 6.729 -14.009 -1.630 1.00 62.32 S ATOM 0 H CYS A 9 4.150 -13.731 -2.718 1.00 2.03 H new ATOM 0 HA CYS A 9 3.996 -16.563 -1.904 1.00 61.13 H new ATOM 0 HB2 CYS A 9 6.312 -16.343 -1.236 1.00 31.45 H new ATOM 0 HB3 CYS A 9 6.125 -15.938 -2.931 1.00 31.45 H new ATOM 76 N SER A 10 3.107 -14.158 -0.207 1.00 75.55 N ATOM 77 CA SER A 10 2.744 -13.716 1.094 1.00 3.32 C ATOM 78 C SER A 10 1.248 -13.416 1.180 1.00 72.42 C ATOM 79 O SER A 10 0.750 -12.509 0.520 1.00 43.24 O ATOM 80 CB SER A 10 3.592 -12.493 1.527 1.00 61.13 C ATOM 81 OG SER A 10 3.321 -11.329 0.750 1.00 5.13 O ATOM 0 H SER A 10 2.639 -13.684 -0.980 1.00 75.55 H new ATOM 0 HA SER A 10 2.956 -14.527 1.791 1.00 3.32 H new ATOM 0 HB2 SER A 10 3.398 -12.276 2.577 1.00 61.13 H new ATOM 0 HB3 SER A 10 4.650 -12.742 1.443 1.00 61.13 H new ATOM 0 HG SER A 10 3.754 -11.412 -0.125 1.00 5.13 H new ATOM 82 N PRO A 11 0.502 -14.174 2.001 1.00 54.52 N ATOM 83 CA PRO A 11 -0.936 -13.920 2.237 1.00 72.50 C ATOM 84 C PRO A 11 -1.102 -12.760 3.237 1.00 23.11 C ATOM 85 O PRO A 11 -1.892 -12.817 4.168 1.00 10.00 O ATOM 86 CB PRO A 11 -1.405 -15.243 2.857 1.00 52.53 C ATOM 87 CG PRO A 11 -0.210 -15.783 3.560 1.00 1.14 C ATOM 88 CD PRO A 11 0.988 -15.345 2.763 1.00 21.23 C ATOM 0 HA PRO A 11 -1.494 -13.639 1.344 1.00 72.50 H new ATOM 0 HB2 PRO A 11 -2.232 -15.083 3.549 1.00 52.53 H new ATOM 0 HB3 PRO A 11 -1.759 -15.934 2.092 1.00 52.53 H new ATOM 0 HG2 PRO A 11 -0.156 -15.405 4.581 1.00 1.14 H new ATOM 0 HG3 PRO A 11 -0.256 -16.870 3.625 1.00 1.14 H new ATOM 0 HD2 PRO A 11 1.824 -15.081 3.411 1.00 21.23 H new ATOM 0 HD3 PRO A 11 1.337 -16.136 2.099 1.00 21.23 H new ATOM 89 N SER A 12 -0.368 -11.710 2.978 1.00 40.25 N ATOM 90 CA SER A 12 -0.263 -10.568 3.826 1.00 44.21 C ATOM 91 C SER A 12 -1.462 -9.627 3.671 1.00 54.11 C ATOM 92 O SER A 12 -2.253 -9.453 4.588 1.00 25.01 O ATOM 93 CB SER A 12 1.047 -9.875 3.467 1.00 63.05 C ATOM 94 OG SER A 12 1.160 -9.767 2.036 1.00 22.14 O ATOM 0 H SER A 12 0.195 -11.631 2.131 1.00 40.25 H new ATOM 0 HA SER A 12 -0.266 -10.869 4.873 1.00 44.21 H new ATOM 0 HB2 SER A 12 1.082 -8.884 3.920 1.00 63.05 H new ATOM 0 HB3 SER A 12 1.890 -10.439 3.867 1.00 63.05 H new ATOM 0 HG SER A 12 1.895 -10.334 1.722 1.00 22.14 H new ATOM 95 N THR A 13 -1.578 -9.026 2.517 1.00 62.32 N ATOM 96 CA THR A 13 -2.663 -8.122 2.247 1.00 2.21 C ATOM 97 C THR A 13 -3.544 -8.682 1.135 1.00 1.52 C ATOM 98 O THR A 13 -4.615 -8.141 0.846 1.00 71.14 O ATOM 99 CB THR A 13 -2.125 -6.701 1.865 1.00 12.41 C ATOM 100 OG1 THR A 13 -3.205 -5.787 1.633 1.00 45.35 O ATOM 101 CG2 THR A 13 -1.229 -6.756 0.625 1.00 40.14 C ATOM 0 H THR A 13 -0.927 -9.148 1.742 1.00 62.32 H new ATOM 0 HA THR A 13 -3.263 -8.020 3.152 1.00 2.21 H new ATOM 0 HB THR A 13 -1.532 -6.347 2.709 1.00 12.41 H new ATOM 0 HG1 THR A 13 -3.981 -6.278 1.291 1.00 45.35 H new ATOM 0 HG21 THR A 13 -0.873 -5.753 0.388 1.00 40.14 H new ATOM 0 HG22 THR A 13 -0.377 -7.407 0.821 1.00 40.14 H new ATOM 0 HG23 THR A 13 -1.798 -7.147 -0.218 1.00 40.14 H new ATOM 102 N ALA A 14 -3.091 -9.778 0.548 1.00 63.50 N ATOM 103 CA ALA A 14 -3.736 -10.426 -0.569 1.00 73.11 C ATOM 104 C ALA A 14 -2.926 -11.657 -0.904 1.00 25.11 C ATOM 105 O ALA A 14 -2.103 -12.087 -0.103 1.00 21.53 O ATOM 106 CB ALA A 14 -3.781 -9.486 -1.787 1.00 72.22 C ATOM 0 H ALA A 14 -2.239 -10.251 0.849 1.00 63.50 H new ATOM 0 HA ALA A 14 -4.762 -10.690 -0.312 1.00 73.11 H new ATOM 0 HB1 ALA A 14 -4.271 -9.992 -2.619 1.00 72.22 H new ATOM 0 HB2 ALA A 14 -4.339 -8.585 -1.531 1.00 72.22 H new ATOM 0 HB3 ALA A 14 -2.765 -9.214 -2.075 1.00 72.22 H new ATOM 107 N SER A 15 -3.165 -12.217 -2.047 1.00 32.24 N ATOM 108 CA SER A 15 -2.427 -13.330 -2.563 1.00 72.51 C ATOM 109 C SER A 15 -2.400 -13.131 -4.060 1.00 14.11 C ATOM 110 O SER A 15 -3.287 -12.447 -4.585 1.00 64.42 O ATOM 111 CB SER A 15 -3.119 -14.645 -2.185 1.00 44.14 C ATOM 112 OG SER A 15 -3.250 -14.740 -0.772 1.00 62.41 O ATOM 0 H SER A 15 -3.907 -11.901 -2.671 1.00 32.24 H new ATOM 0 HA SER A 15 -1.418 -13.385 -2.154 1.00 72.51 H new ATOM 0 HB2 SER A 15 -4.102 -14.695 -2.653 1.00 44.14 H new ATOM 0 HB3 SER A 15 -2.543 -15.490 -2.562 1.00 44.14 H new ATOM 0 HG SER A 15 -3.694 -15.582 -0.541 1.00 62.41 H new ATOM 113 N ALA A 16 -1.419 -13.657 -4.739 1.00 23.33 N ATOM 114 CA ALA A 16 -1.314 -13.416 -6.155 1.00 55.35 C ATOM 115 C ALA A 16 -1.209 -14.703 -6.936 1.00 53.41 C ATOM 116 O ALA A 16 -1.096 -15.788 -6.351 1.00 54.11 O ATOM 117 CB ALA A 16 -0.160 -12.506 -6.451 1.00 5.33 C ATOM 0 H ALA A 16 -0.688 -14.248 -4.343 1.00 23.33 H new ATOM 0 HA ALA A 16 -2.231 -12.922 -6.476 1.00 55.35 H new ATOM 0 HB1 ALA A 16 -0.097 -12.336 -7.526 1.00 5.33 H new ATOM 0 HB2 ALA A 16 -0.307 -11.554 -5.941 1.00 5.33 H new ATOM 0 HB3 ALA A 16 0.765 -12.966 -6.102 1.00 5.33 H new ATOM 118 N THR A 17 -1.200 -14.578 -8.237 1.00 2.01 N ATOM 119 CA THR A 17 -1.251 -15.711 -9.115 1.00 61.34 C ATOM 120 C THR A 17 0.157 -16.165 -9.537 1.00 1.23 C ATOM 121 O THR A 17 0.587 -17.306 -9.248 1.00 30.12 O ATOM 122 CB THR A 17 -2.059 -15.334 -10.369 1.00 71.30 C ATOM 123 OG1 THR A 17 -3.237 -14.620 -9.966 1.00 32.31 O ATOM 124 CG2 THR A 17 -2.470 -16.581 -11.146 1.00 53.02 C ATOM 0 H THR A 17 -1.157 -13.680 -8.718 1.00 2.01 H new ATOM 0 HA THR A 17 -1.725 -16.536 -8.583 1.00 61.34 H new ATOM 0 HB THR A 17 -1.438 -14.713 -11.014 1.00 71.30 H new ATOM 0 HG1 THR A 17 -3.758 -14.374 -10.759 1.00 32.31 H new ATOM 0 HG21 THR A 17 -3.040 -16.289 -12.028 1.00 53.02 H new ATOM 0 HG22 THR A 17 -1.579 -17.128 -11.455 1.00 53.02 H new ATOM 0 HG23 THR A 17 -3.085 -17.219 -10.511 1.00 53.02 H new ATOM 125 N GLY A 18 0.875 -15.285 -10.181 1.00 45.34 N ATOM 126 CA GLY A 18 2.163 -15.614 -10.723 1.00 10.52 C ATOM 127 C GLY A 18 2.114 -15.557 -12.234 1.00 63.42 C ATOM 128 O GLY A 18 2.700 -16.409 -12.936 1.00 35.54 O ATOM 0 H GLY A 18 0.583 -14.321 -10.344 1.00 45.34 H new ATOM 0 HA2 GLY A 18 2.914 -14.918 -10.348 1.00 10.52 H new ATOM 0 HA3 GLY A 18 2.461 -16.611 -10.397 1.00 10.52 H new ATOM 129 N VAL A 19 1.403 -14.579 -12.729 1.00 51.45 N ATOM 130 CA VAL A 19 1.226 -14.339 -14.143 1.00 62.11 C ATOM 131 C VAL A 19 2.355 -13.470 -14.643 1.00 11.31 C ATOM 132 O VAL A 19 2.539 -12.406 -14.125 1.00 5.33 O ATOM 133 CB VAL A 19 -0.116 -13.602 -14.399 1.00 64.33 C ATOM 134 CG1 VAL A 19 -0.156 -13.037 -15.807 1.00 12.22 C ATOM 135 CG2 VAL A 19 -1.290 -14.537 -14.172 1.00 2.42 C ATOM 0 H VAL A 19 0.913 -13.903 -12.142 1.00 51.45 H new ATOM 0 HA VAL A 19 1.220 -15.296 -14.665 1.00 62.11 H new ATOM 0 HB VAL A 19 -0.191 -12.775 -13.693 1.00 64.33 H new ATOM 0 HG11 VAL A 19 -1.105 -12.524 -15.967 1.00 12.22 H new ATOM 0 HG12 VAL A 19 0.664 -12.332 -15.939 1.00 12.22 H new ATOM 0 HG13 VAL A 19 -0.057 -13.849 -16.528 1.00 12.22 H new ATOM 0 HG21 VAL A 19 -2.222 -14.002 -14.356 1.00 2.42 H new ATOM 0 HG22 VAL A 19 -1.217 -15.385 -14.853 1.00 2.42 H new ATOM 0 HG23 VAL A 19 -1.275 -14.896 -13.143 1.00 2.42 H new ATOM 136 N LEU A 20 3.095 -13.939 -15.669 1.00 45.12 N ATOM 137 CA LEU A 20 4.254 -13.205 -16.266 1.00 31.40 C ATOM 138 C LEU A 20 5.382 -13.011 -15.289 1.00 65.13 C ATOM 139 O LEU A 20 6.451 -13.609 -15.423 1.00 54.53 O ATOM 140 CB LEU A 20 3.869 -11.880 -16.981 1.00 75.11 C ATOM 141 CG LEU A 20 3.362 -11.974 -18.445 1.00 73.20 C ATOM 142 CD1 LEU A 20 4.432 -12.557 -19.358 1.00 13.13 C ATOM 143 CD2 LEU A 20 2.076 -12.777 -18.557 1.00 61.23 C ATOM 0 H LEU A 20 2.913 -14.838 -16.115 1.00 45.12 H new ATOM 0 HA LEU A 20 4.620 -13.863 -17.054 1.00 31.40 H new ATOM 0 HB2 LEU A 20 3.096 -11.391 -16.389 1.00 75.11 H new ATOM 0 HB3 LEU A 20 4.741 -11.226 -16.969 1.00 75.11 H new ATOM 0 HG LEU A 20 3.142 -10.956 -18.768 1.00 73.20 H new ATOM 0 HD11 LEU A 20 4.050 -12.612 -20.377 1.00 13.13 H new ATOM 0 HD12 LEU A 20 5.316 -11.920 -19.335 1.00 13.13 H new ATOM 0 HD13 LEU A 20 4.697 -13.557 -19.016 1.00 13.13 H new ATOM 0 HD21 LEU A 20 1.760 -12.815 -19.600 1.00 61.23 H new ATOM 0 HD22 LEU A 20 2.247 -13.790 -18.192 1.00 61.23 H new ATOM 0 HD23 LEU A 20 1.298 -12.303 -17.959 1.00 61.23 H new ATOM 144 N TRP A 21 5.117 -12.240 -14.317 1.00 52.44 N ATOM 145 CA TRP A 21 6.037 -11.982 -13.232 1.00 63.25 C ATOM 146 C TRP A 21 6.146 -13.299 -12.462 1.00 12.10 C ATOM 147 O TRP A 21 5.137 -13.906 -12.116 1.00 1.13 O ATOM 148 CB TRP A 21 5.539 -10.796 -12.353 1.00 71.20 C ATOM 149 CG TRP A 21 5.414 -9.504 -13.154 1.00 71.51 C ATOM 150 CD1 TRP A 21 6.380 -8.534 -13.348 1.00 54.22 C ATOM 151 CD2 TRP A 21 4.255 -9.061 -13.880 1.00 32.10 C ATOM 152 NE1 TRP A 21 5.888 -7.545 -14.175 1.00 11.45 N ATOM 153 CE2 TRP A 21 4.580 -7.855 -14.514 1.00 61.13 C ATOM 154 CE3 TRP A 21 2.978 -9.583 -14.060 1.00 12.11 C ATOM 155 CZ2 TRP A 21 3.653 -7.175 -15.323 1.00 33.24 C ATOM 156 CZ3 TRP A 21 2.075 -8.912 -14.848 1.00 31.02 C ATOM 157 CH2 TRP A 21 2.417 -7.724 -15.473 1.00 34.12 C ATOM 0 H TRP A 21 4.231 -11.742 -14.228 1.00 52.44 H new ATOM 0 HA TRP A 21 7.021 -11.673 -13.585 1.00 63.25 H new ATOM 0 HB2 TRP A 21 4.572 -11.048 -11.918 1.00 71.20 H new ATOM 0 HB3 TRP A 21 6.231 -10.643 -11.524 1.00 71.20 H new ATOM 0 HD1 TRP A 21 7.370 -8.548 -12.917 1.00 54.22 H new ATOM 0 HE1 TRP A 21 6.402 -6.721 -14.486 1.00 11.45 H new ATOM 0 HE3 TRP A 21 2.698 -10.511 -13.583 1.00 12.11 H new ATOM 0 HZ2 TRP A 21 3.913 -6.247 -15.810 1.00 33.24 H new ATOM 0 HZ3 TRP A 21 1.083 -9.317 -14.982 1.00 31.02 H new ATOM 0 HH2 TRP A 21 1.688 -7.223 -16.092 1.00 34.12 H new ATOM 158 N ARG A 22 7.356 -13.782 -12.267 1.00 35.32 N ATOM 159 CA ARG A 22 7.558 -15.148 -11.747 1.00 52.30 C ATOM 160 C ARG A 22 7.435 -15.252 -10.268 1.00 21.32 C ATOM 161 O ARG A 22 7.679 -16.348 -9.718 1.00 3.31 O ATOM 162 CB ARG A 22 8.914 -15.738 -12.181 1.00 64.41 C ATOM 163 CG ARG A 22 9.187 -15.739 -13.690 1.00 43.33 C ATOM 164 CD ARG A 22 7.968 -16.166 -14.517 1.00 25.35 C ATOM 165 NE ARG A 22 7.378 -17.452 -14.099 1.00 72.23 N ATOM 166 CZ ARG A 22 6.065 -17.616 -13.808 1.00 51.14 C ATOM 167 NH1 ARG A 22 5.255 -16.555 -13.759 1.00 30.04 N ATOM 168 NH2 ARG A 22 5.581 -18.830 -13.537 1.00 14.45 N ATOM 0 H ARG A 22 8.216 -13.267 -12.454 1.00 35.32 H new ATOM 0 HA ARG A 22 6.748 -15.728 -12.189 1.00 52.30 H new ATOM 0 HB2 ARG A 22 9.708 -15.178 -11.687 1.00 64.41 H new ATOM 0 HB3 ARG A 22 8.975 -16.764 -11.819 1.00 64.41 H new ATOM 0 HG2 ARG A 22 9.497 -14.741 -13.999 1.00 43.33 H new ATOM 0 HG3 ARG A 22 10.018 -16.411 -13.903 1.00 43.33 H new ATOM 0 HD2 ARG A 22 7.206 -15.390 -14.449 1.00 25.35 H new ATOM 0 HD3 ARG A 22 8.259 -16.236 -15.565 1.00 25.35 H new ATOM 0 HE ARG A 22 7.993 -18.263 -14.025 1.00 72.23 H new ATOM 0 HH11 ARG A 22 5.625 -15.622 -13.941 1.00 30.04 H new ATOM 0 HH12 ARG A 22 4.266 -16.678 -13.540 1.00 30.04 H new ATOM 0 HH21 ARG A 22 6.201 -19.640 -13.548 1.00 14.45 H new ATOM 0 HH22 ARG A 22 4.592 -18.947 -13.319 1.00 14.45 H new ATOM 169 N SER A 23 7.044 -14.147 -9.621 1.00 41.45 N ATOM 170 CA SER A 23 7.044 -14.050 -8.180 1.00 42.30 C ATOM 171 C SER A 23 8.487 -14.219 -7.755 1.00 21.41 C ATOM 172 O SER A 23 9.402 -14.145 -8.597 1.00 23.44 O ATOM 173 CB SER A 23 6.127 -15.143 -7.558 1.00 73.31 C ATOM 174 OG SER A 23 6.099 -15.109 -6.130 1.00 30.14 O ATOM 0 H SER A 23 6.721 -13.303 -10.093 1.00 41.45 H new ATOM 0 HA SER A 23 6.649 -13.094 -7.836 1.00 42.30 H new ATOM 0 HB2 SER A 23 5.113 -15.017 -7.938 1.00 73.31 H new ATOM 0 HB3 SER A 23 6.470 -16.125 -7.885 1.00 73.31 H new ATOM 0 HG SER A 23 6.253 -16.011 -5.778 1.00 30.14 H new ATOM 175 N CYS A 24 8.724 -14.423 -6.532 1.00 24.24 N ATOM 176 CA CYS A 24 10.055 -14.694 -6.162 1.00 74.23 C ATOM 177 C CYS A 24 10.277 -16.012 -5.514 1.00 4.24 C ATOM 178 O CYS A 24 11.410 -16.519 -5.484 1.00 53.34 O ATOM 179 CB CYS A 24 10.762 -13.553 -5.534 1.00 3.43 C ATOM 180 SG CYS A 24 11.553 -12.471 -6.767 1.00 44.44 S ATOM 0 H CYS A 24 8.038 -14.411 -5.777 1.00 24.24 H new ATOM 0 HA CYS A 24 10.565 -14.814 -7.118 1.00 74.23 H new ATOM 0 HB2 CYS A 24 10.055 -12.971 -4.943 1.00 3.43 H new ATOM 0 HB3 CYS A 24 11.518 -13.931 -4.846 1.00 3.43 H new ATOM 181 N ASP A 25 9.210 -16.609 -5.051 1.00 2.24 N ATOM 182 CA ASP A 25 9.271 -17.947 -4.476 1.00 35.51 C ATOM 183 C ASP A 25 9.767 -18.947 -5.536 1.00 13.23 C ATOM 184 O ASP A 25 10.646 -19.770 -5.266 1.00 2.31 O ATOM 185 CB ASP A 25 7.897 -18.389 -3.914 1.00 4.32 C ATOM 186 CG ASP A 25 6.825 -18.548 -4.983 1.00 54.42 C ATOM 187 OD1 ASP A 25 6.732 -19.620 -5.594 1.00 30.20 O ATOM 188 OD2 ASP A 25 6.087 -17.574 -5.265 1.00 11.05 O ATOM 0 H ASP A 25 8.278 -16.195 -5.057 1.00 2.24 H new ATOM 0 HA ASP A 25 9.973 -17.927 -3.642 1.00 35.51 H new ATOM 0 HB2 ASP A 25 8.017 -19.336 -3.387 1.00 4.32 H new ATOM 0 HB3 ASP A 25 7.561 -17.656 -3.180 1.00 4.32 H new ATOM 189 N SER A 26 9.251 -18.815 -6.751 1.00 10.14 N ATOM 190 CA SER A 26 9.616 -19.682 -7.834 1.00 12.14 C ATOM 191 C SER A 26 10.902 -19.159 -8.501 1.00 21.45 C ATOM 192 O SER A 26 11.830 -19.922 -8.789 1.00 71.54 O ATOM 193 CB SER A 26 8.457 -19.738 -8.834 1.00 52.00 C ATOM 194 OG SER A 26 7.224 -20.080 -8.185 1.00 50.14 O ATOM 0 H SER A 26 8.568 -18.100 -7.001 1.00 10.14 H new ATOM 0 HA SER A 26 9.812 -20.689 -7.467 1.00 12.14 H new ATOM 0 HB2 SER A 26 8.354 -18.772 -9.329 1.00 52.00 H new ATOM 0 HB3 SER A 26 8.678 -20.472 -9.609 1.00 52.00 H new ATOM 0 HG SER A 26 7.355 -20.080 -7.214 1.00 50.14 H new ATOM 195 N TYR A 27 10.944 -17.847 -8.729 1.00 34.14 N ATOM 196 CA TYR A 27 12.101 -17.153 -9.310 1.00 33.53 C ATOM 197 C TYR A 27 13.416 -17.497 -8.617 1.00 65.12 C ATOM 198 O TYR A 27 14.363 -17.912 -9.283 1.00 73.22 O ATOM 199 CB TYR A 27 11.873 -15.677 -9.216 1.00 61.13 C ATOM 200 CG TYR A 27 12.955 -14.786 -9.776 1.00 64.43 C ATOM 201 CD1 TYR A 27 13.166 -14.722 -11.145 1.00 72.43 C ATOM 202 CD2 TYR A 27 13.775 -14.036 -8.952 1.00 71.13 C ATOM 203 CE1 TYR A 27 14.158 -13.946 -11.679 1.00 43.51 C ATOM 204 CE2 TYR A 27 14.769 -13.245 -9.482 1.00 44.25 C ATOM 205 CZ TYR A 27 14.957 -13.205 -10.849 1.00 1.12 C ATOM 206 OH TYR A 27 15.968 -12.429 -11.386 1.00 25.10 O ATOM 0 H TYR A 27 10.166 -17.224 -8.513 1.00 34.14 H new ATOM 0 HA TYR A 27 12.190 -17.480 -10.346 1.00 33.53 H new ATOM 0 HB2 TYR A 27 10.940 -15.444 -9.730 1.00 61.13 H new ATOM 0 HB3 TYR A 27 11.731 -15.421 -8.166 1.00 61.13 H new ATOM 0 HD1 TYR A 27 12.533 -15.298 -11.804 1.00 72.43 H new ATOM 0 HD2 TYR A 27 13.634 -14.072 -7.882 1.00 71.13 H new ATOM 0 HE1 TYR A 27 14.310 -13.918 -12.748 1.00 43.51 H new ATOM 0 HE2 TYR A 27 15.400 -12.658 -8.831 1.00 44.25 H new ATOM 0 HH TYR A 27 16.681 -13.010 -11.725 1.00 25.10 H new ATOM 207 N CYS A 28 13.484 -17.342 -7.295 1.00 34.01 N ATOM 208 CA CYS A 28 14.708 -17.585 -6.584 1.00 62.43 C ATOM 209 C CYS A 28 15.140 -19.042 -6.672 1.00 33.42 C ATOM 210 O CYS A 28 16.317 -19.323 -6.584 1.00 12.25 O ATOM 211 CB CYS A 28 14.638 -17.094 -5.136 1.00 11.14 C ATOM 212 SG CYS A 28 14.391 -15.294 -4.957 1.00 42.23 S ATOM 0 H CYS A 28 12.701 -17.050 -6.710 1.00 34.01 H new ATOM 0 HA CYS A 28 15.481 -16.997 -7.079 1.00 62.43 H new ATOM 0 HB2 CYS A 28 13.824 -17.612 -4.629 1.00 11.14 H new ATOM 0 HB3 CYS A 28 15.560 -17.374 -4.626 1.00 11.14 H new ATOM 213 N LYS A 29 14.189 -19.958 -6.890 1.00 34.54 N ATOM 214 CA LYS A 29 14.505 -21.371 -7.076 1.00 33.10 C ATOM 215 C LYS A 29 15.232 -21.612 -8.380 1.00 33.25 C ATOM 216 O LYS A 29 16.239 -22.295 -8.418 1.00 55.02 O ATOM 217 CB LYS A 29 13.238 -22.254 -7.022 1.00 22.52 C ATOM 218 CG LYS A 29 12.645 -22.428 -5.641 1.00 34.02 C ATOM 219 CD LYS A 29 13.697 -22.990 -4.737 1.00 44.13 C ATOM 220 CE LYS A 29 13.196 -23.334 -3.355 1.00 31.30 C ATOM 221 NZ LYS A 29 14.302 -23.883 -2.523 1.00 61.11 N ATOM 0 H LYS A 29 13.194 -19.741 -6.941 1.00 34.54 H new ATOM 0 HA LYS A 29 15.160 -21.651 -6.251 1.00 33.10 H new ATOM 0 HB2 LYS A 29 12.481 -21.819 -7.675 1.00 22.52 H new ATOM 0 HB3 LYS A 29 13.480 -23.237 -7.425 1.00 22.52 H new ATOM 0 HG2 LYS A 29 12.289 -21.471 -5.259 1.00 34.02 H new ATOM 0 HG3 LYS A 29 11.784 -23.095 -5.680 1.00 34.02 H new ATOM 0 HD2 LYS A 29 14.115 -23.887 -5.195 1.00 44.13 H new ATOM 0 HD3 LYS A 29 14.510 -22.269 -4.649 1.00 44.13 H new ATOM 0 HE2 LYS A 29 12.782 -22.445 -2.880 1.00 31.30 H new ATOM 0 HE3 LYS A 29 12.389 -24.063 -3.425 1.00 31.30 H new ATOM 0 HZ1 LYS A 29 14.077 -23.753 -1.516 1.00 61.11 H new ATOM 0 HZ2 LYS A 29 14.417 -24.897 -2.724 1.00 61.11 H new ATOM 0 HZ3 LYS A 29 15.186 -23.383 -2.747 1.00 61.11 H new ATOM 222 N VAL A 30 14.728 -21.038 -9.421 1.00 51.04 N ATOM 223 CA VAL A 30 15.230 -21.216 -10.708 1.00 32.23 C ATOM 224 C VAL A 30 16.497 -20.361 -10.942 1.00 75.01 C ATOM 225 O VAL A 30 17.541 -20.847 -11.414 1.00 35.30 O ATOM 226 CB VAL A 30 14.109 -20.792 -11.667 1.00 33.34 C ATOM 227 CG1 VAL A 30 14.574 -20.818 -13.050 1.00 55.11 C ATOM 228 CG2 VAL A 30 12.880 -21.672 -11.491 1.00 51.51 C ATOM 0 H VAL A 30 13.924 -20.411 -9.378 1.00 51.04 H new ATOM 0 HA VAL A 30 15.524 -22.253 -10.868 1.00 32.23 H new ATOM 0 HB VAL A 30 13.826 -19.768 -11.424 1.00 33.34 H new ATOM 0 HG11 VAL A 30 13.763 -20.514 -13.712 1.00 55.11 H new ATOM 0 HG12 VAL A 30 15.413 -20.132 -13.165 1.00 55.11 H new ATOM 0 HG13 VAL A 30 14.894 -21.828 -13.308 1.00 55.11 H new ATOM 0 HG21 VAL A 30 12.101 -21.351 -12.182 1.00 51.51 H new ATOM 0 HG22 VAL A 30 13.143 -22.710 -11.697 1.00 51.51 H new ATOM 0 HG23 VAL A 30 12.515 -21.587 -10.467 1.00 51.51 H new ATOM 229 N CYS A 31 16.405 -19.118 -10.578 1.00 35.34 N ATOM 230 CA CYS A 31 17.428 -18.156 -10.873 1.00 21.14 C ATOM 231 C CYS A 31 18.651 -18.292 -9.965 1.00 3.52 C ATOM 232 O CYS A 31 19.706 -18.697 -10.415 1.00 63.40 O ATOM 233 CB CYS A 31 16.838 -16.747 -10.836 1.00 33.14 C ATOM 234 SG CYS A 31 17.479 -15.632 -12.111 1.00 75.03 S ATOM 0 H CYS A 31 15.611 -18.737 -10.063 1.00 35.34 H new ATOM 0 HA CYS A 31 17.794 -18.355 -11.880 1.00 21.14 H new ATOM 0 HB2 CYS A 31 15.756 -16.817 -10.943 1.00 33.14 H new ATOM 0 HB3 CYS A 31 17.034 -16.310 -9.857 1.00 33.14 H new ATOM 235 N PHE A 32 18.488 -18.029 -8.692 1.00 74.43 N ATOM 236 CA PHE A 32 19.612 -18.013 -7.752 1.00 25.11 C ATOM 237 C PHE A 32 19.710 -19.331 -6.991 1.00 52.31 C ATOM 238 O PHE A 32 20.546 -19.492 -6.095 1.00 32.53 O ATOM 239 CB PHE A 32 19.441 -16.871 -6.765 1.00 52.00 C ATOM 240 CG PHE A 32 19.373 -15.497 -7.377 1.00 5.41 C ATOM 241 CD1 PHE A 32 18.184 -15.003 -7.884 1.00 12.33 C ATOM 242 CD2 PHE A 32 20.497 -14.691 -7.418 1.00 53.40 C ATOM 243 CE1 PHE A 32 18.115 -13.737 -8.416 1.00 11.45 C ATOM 244 CE2 PHE A 32 20.434 -13.422 -7.955 1.00 53.13 C ATOM 245 CZ PHE A 32 19.237 -12.945 -8.451 1.00 63.24 C ATOM 0 H PHE A 32 17.584 -17.820 -8.268 1.00 74.43 H new ATOM 0 HA PHE A 32 20.530 -17.874 -8.323 1.00 25.11 H new ATOM 0 HB2 PHE A 32 18.530 -17.041 -6.192 1.00 52.00 H new ATOM 0 HB3 PHE A 32 20.271 -16.896 -6.059 1.00 52.00 H new ATOM 0 HD1 PHE A 32 17.298 -15.620 -7.862 1.00 12.33 H new ATOM 0 HD2 PHE A 32 21.433 -15.059 -7.025 1.00 53.40 H new ATOM 0 HE1 PHE A 32 17.179 -13.365 -8.806 1.00 11.45 H new ATOM 0 HE2 PHE A 32 21.319 -12.803 -7.987 1.00 53.13 H new ATOM 0 HZ PHE A 32 19.183 -11.950 -8.866 1.00 63.24 H new ATOM 246 N LYS A 33 18.862 -20.265 -7.400 1.00 75.12 N ATOM 247 CA LYS A 33 18.703 -21.601 -6.816 1.00 50.31 C ATOM 248 C LYS A 33 18.705 -21.563 -5.277 1.00 34.30 C ATOM 249 O LYS A 33 19.249 -22.433 -4.594 1.00 64.40 O ATOM 250 CB LYS A 33 19.726 -22.515 -7.471 1.00 73.21 C ATOM 251 CG LYS A 33 19.538 -22.437 -8.992 1.00 74.14 C ATOM 252 CD LYS A 33 20.624 -23.099 -9.795 1.00 35.21 C ATOM 253 CE LYS A 33 20.526 -22.679 -11.273 1.00 2.04 C ATOM 254 NZ LYS A 33 20.501 -21.183 -11.443 1.00 72.43 N ATOM 0 H LYS A 33 18.232 -20.109 -8.187 1.00 75.12 H new ATOM 0 HA LYS A 33 17.720 -22.021 -7.030 1.00 50.31 H new ATOM 0 HB2 LYS A 33 20.737 -22.212 -7.197 1.00 73.21 H new ATOM 0 HB3 LYS A 33 19.596 -23.540 -7.124 1.00 73.21 H new ATOM 0 HG2 LYS A 33 18.583 -22.895 -9.250 1.00 74.14 H new ATOM 0 HG3 LYS A 33 19.477 -21.388 -9.284 1.00 74.14 H new ATOM 0 HD2 LYS A 33 21.600 -22.824 -9.396 1.00 35.21 H new ATOM 0 HD3 LYS A 33 20.539 -24.182 -9.711 1.00 35.21 H new ATOM 0 HE2 LYS A 33 21.373 -23.090 -11.822 1.00 2.04 H new ATOM 0 HE3 LYS A 33 19.624 -23.107 -11.711 1.00 2.04 H new ATOM 0 HZ1 LYS A 33 20.916 -20.931 -12.363 1.00 72.43 H new ATOM 0 HZ2 LYS A 33 19.518 -20.845 -11.403 1.00 72.43 H new ATOM 0 HZ3 LYS A 33 21.051 -20.738 -10.681 1.00 72.43 H new ATOM 255 N ALA A 34 17.994 -20.549 -4.784 1.00 72.33 N ATOM 256 CA ALA A 34 17.833 -20.196 -3.379 1.00 64.04 C ATOM 257 C ALA A 34 16.839 -21.102 -2.674 1.00 75.13 C ATOM 258 O ALA A 34 16.188 -21.939 -3.306 1.00 72.33 O ATOM 259 CB ALA A 34 17.340 -18.762 -3.311 1.00 34.34 C ATOM 0 H ALA A 34 17.484 -19.913 -5.397 1.00 72.33 H new ATOM 0 HA ALA A 34 18.793 -20.313 -2.876 1.00 64.04 H new ATOM 0 HB1 ALA A 34 17.210 -18.471 -2.269 1.00 34.34 H new ATOM 0 HB2 ALA A 34 18.069 -18.104 -3.784 1.00 34.34 H new ATOM 0 HB3 ALA A 34 16.386 -18.680 -3.832 1.00 34.34 H new ATOM 260 N ASP A 35 16.722 -20.961 -1.365 1.00 4.21 N ATOM 261 CA ASP A 35 15.807 -21.729 -0.628 1.00 4.14 C ATOM 262 C ASP A 35 14.488 -21.097 -0.562 1.00 24.54 C ATOM 263 O ASP A 35 13.467 -21.775 -0.641 1.00 12.24 O ATOM 264 CB ASP A 35 16.324 -22.185 0.704 1.00 52.33 C ATOM 265 CG ASP A 35 17.164 -23.420 0.522 1.00 10.22 C ATOM 266 OD1 ASP A 35 16.830 -24.225 -0.398 1.00 12.24 O ATOM 267 OD2 ASP A 35 18.207 -23.568 1.197 1.00 21.51 O ATOM 0 H ASP A 35 17.270 -20.305 -0.809 1.00 4.21 H new ATOM 0 HA ASP A 35 15.676 -22.655 -1.188 1.00 4.14 H new ATOM 0 HB2 ASP A 35 16.916 -21.395 1.166 1.00 52.33 H new ATOM 0 HB3 ASP A 35 15.492 -22.394 1.376 1.00 52.33 H new ATOM 268 N ARG A 36 14.479 -19.797 -0.454 1.00 44.21 N ATOM 269 CA ARG A 36 13.231 -19.078 -0.425 1.00 41.25 C ATOM 270 C ARG A 36 13.365 -17.845 -1.243 1.00 2.41 C ATOM 271 O ARG A 36 14.479 -17.324 -1.417 1.00 3.30 O ATOM 272 CB ARG A 36 12.791 -18.679 0.998 1.00 12.03 C ATOM 273 CG ARG A 36 12.675 -19.818 1.990 1.00 71.13 C ATOM 274 CD ARG A 36 12.064 -19.363 3.315 1.00 60.32 C ATOM 275 NE ARG A 36 12.726 -18.172 3.885 1.00 61.23 N ATOM 276 CZ ARG A 36 13.460 -18.125 5.002 1.00 74.35 C ATOM 277 NH1 ARG A 36 13.822 -19.250 5.638 1.00 71.11 N ATOM 278 NH2 ARG A 36 13.846 -16.944 5.456 1.00 41.23 N ATOM 0 H ARG A 36 15.314 -19.215 -0.385 1.00 44.21 H new ATOM 0 HA ARG A 36 12.469 -19.747 -0.825 1.00 41.25 H new ATOM 0 HB2 ARG A 36 13.503 -17.952 1.389 1.00 12.03 H new ATOM 0 HB3 ARG A 36 11.825 -18.177 0.933 1.00 12.03 H new ATOM 0 HG2 ARG A 36 12.062 -20.611 1.561 1.00 71.13 H new ATOM 0 HG3 ARG A 36 13.663 -20.242 2.173 1.00 71.13 H new ATOM 0 HD2 ARG A 36 11.007 -19.145 3.164 1.00 60.32 H new ATOM 0 HD3 ARG A 36 12.121 -20.181 4.033 1.00 60.32 H new ATOM 0 HE ARG A 36 12.612 -17.296 3.375 1.00 61.23 H new ATOM 0 HH11 ARG A 36 13.537 -20.158 5.270 1.00 71.11 H new ATOM 0 HH12 ARG A 36 14.382 -19.197 6.489 1.00 71.11 H new ATOM 0 HH21 ARG A 36 13.583 -16.095 4.956 1.00 41.23 H new ATOM 0 HH22 ARG A 36 14.406 -16.883 6.306 1.00 41.23 H new ATOM 279 N GLY A 37 12.274 -17.409 -1.763 1.00 34.33 N ATOM 280 CA GLY A 37 12.218 -16.181 -2.462 1.00 63.21 C ATOM 281 C GLY A 37 11.193 -15.350 -1.815 1.00 11.33 C ATOM 282 O GLY A 37 10.009 -15.646 -1.912 1.00 44.44 O ATOM 0 H GLY A 37 11.384 -17.904 -1.713 1.00 34.33 H new ATOM 0 HA2 GLY A 37 13.187 -15.682 -2.438 1.00 63.21 H new ATOM 0 HA3 GLY A 37 11.971 -16.348 -3.510 1.00 63.21 H new ATOM 283 N GLU A 38 11.622 -14.361 -1.111 1.00 62.52 N ATOM 284 CA GLU A 38 10.719 -13.546 -0.374 1.00 31.04 C ATOM 285 C GLU A 38 10.473 -12.286 -1.134 1.00 50.20 C ATOM 286 O GLU A 38 11.361 -11.416 -1.258 1.00 51.12 O ATOM 287 CB GLU A 38 11.272 -13.292 1.020 1.00 61.12 C ATOM 288 CG GLU A 38 11.493 -14.590 1.776 1.00 22.12 C ATOM 289 CD GLU A 38 12.118 -14.421 3.136 1.00 42.05 C ATOM 290 OE1 GLU A 38 12.100 -13.307 3.681 1.00 61.13 O ATOM 291 OE2 GLU A 38 12.683 -15.407 3.654 1.00 62.03 O ATOM 0 H GLU A 38 12.603 -14.095 -1.029 1.00 62.52 H new ATOM 0 HA GLU A 38 9.761 -14.050 -0.246 1.00 31.04 H new ATOM 0 HB2 GLU A 38 12.214 -12.748 0.945 1.00 61.12 H new ATOM 0 HB3 GLU A 38 10.581 -12.659 1.577 1.00 61.12 H new ATOM 0 HG2 GLU A 38 10.535 -15.097 1.891 1.00 22.12 H new ATOM 0 HG3 GLU A 38 12.128 -15.242 1.176 1.00 22.12 H new ATOM 292 N CYS A 39 9.302 -12.232 -1.676 1.00 44.32 N ATOM 293 CA CYS A 39 8.840 -11.171 -2.514 1.00 10.05 C ATOM 294 C CYS A 39 8.372 -10.040 -1.634 1.00 10.12 C ATOM 295 O CYS A 39 7.709 -10.269 -0.619 1.00 14.11 O ATOM 296 CB CYS A 39 7.663 -11.700 -3.324 1.00 22.24 C ATOM 297 SG CYS A 39 7.589 -13.530 -3.408 1.00 1.40 S ATOM 0 H CYS A 39 8.604 -12.963 -1.541 1.00 44.32 H new ATOM 0 HA CYS A 39 9.629 -10.818 -3.178 1.00 10.05 H new ATOM 0 HB2 CYS A 39 6.736 -11.327 -2.887 1.00 22.24 H new ATOM 0 HB3 CYS A 39 7.722 -11.301 -4.337 1.00 22.24 H new ATOM 298 N TYR A 40 8.740 -8.854 -1.976 1.00 51.41 N ATOM 299 CA TYR A 40 8.358 -7.708 -1.246 1.00 65.11 C ATOM 300 C TYR A 40 8.009 -6.612 -2.192 1.00 5.15 C ATOM 301 O TYR A 40 8.404 -6.653 -3.318 1.00 60.20 O ATOM 302 CB TYR A 40 9.431 -7.316 -0.225 1.00 13.52 C ATOM 303 CG TYR A 40 10.852 -7.217 -0.767 1.00 55.43 C ATOM 304 CD1 TYR A 40 11.134 -6.453 -1.893 1.00 71.52 C ATOM 305 CD2 TYR A 40 11.894 -7.866 -0.152 1.00 15.40 C ATOM 306 CE1 TYR A 40 12.423 -6.356 -2.379 1.00 11.45 C ATOM 307 CE2 TYR A 40 13.166 -7.775 -0.615 1.00 41.12 C ATOM 308 CZ TYR A 40 13.441 -7.020 -1.729 1.00 53.22 C ATOM 309 OH TYR A 40 14.733 -6.936 -2.201 1.00 41.33 O ATOM 0 H TYR A 40 9.326 -8.656 -2.787 1.00 51.41 H new ATOM 0 HA TYR A 40 7.467 -7.926 -0.658 1.00 65.11 H new ATOM 0 HB2 TYR A 40 9.159 -6.354 0.209 1.00 13.52 H new ATOM 0 HB3 TYR A 40 9.420 -8.046 0.585 1.00 13.52 H new ATOM 0 HD1 TYR A 40 10.334 -5.928 -2.395 1.00 71.52 H new ATOM 0 HD2 TYR A 40 11.696 -8.465 0.724 1.00 15.40 H new ATOM 0 HE1 TYR A 40 12.631 -5.766 -3.259 1.00 11.45 H new ATOM 0 HE2 TYR A 40 13.963 -8.297 -0.107 1.00 41.12 H new ATOM 0 HH TYR A 40 14.959 -7.758 -2.685 1.00 41.33 H new ATOM 310 N ASP A 41 7.274 -5.664 -1.740 1.00 1.04 N ATOM 311 CA ASP A 41 6.809 -4.605 -2.602 1.00 22.52 C ATOM 312 C ASP A 41 7.768 -3.467 -2.661 1.00 72.22 C ATOM 313 O ASP A 41 8.381 -3.108 -1.655 1.00 52.11 O ATOM 314 CB ASP A 41 5.464 -4.115 -2.127 1.00 22.52 C ATOM 315 CG ASP A 41 4.930 -2.925 -2.877 1.00 32.01 C ATOM 316 OD1 ASP A 41 4.650 -3.046 -4.074 1.00 42.42 O ATOM 317 OD2 ASP A 41 4.686 -1.871 -2.275 1.00 62.22 O ATOM 0 H ASP A 41 6.971 -5.587 -0.769 1.00 1.04 H new ATOM 0 HA ASP A 41 6.723 -5.014 -3.609 1.00 22.52 H new ATOM 0 HB2 ASP A 41 4.746 -4.931 -2.208 1.00 22.52 H new ATOM 0 HB3 ASP A 41 5.538 -3.859 -1.070 1.00 22.52 H new ATOM 318 N SER A 42 7.945 -2.965 -3.850 1.00 4.41 N ATOM 319 CA SER A 42 8.690 -1.747 -4.078 1.00 52.15 C ATOM 320 C SER A 42 7.862 -0.511 -3.620 1.00 73.02 C ATOM 321 O SER A 42 6.918 -0.096 -4.307 1.00 34.50 O ATOM 322 CB SER A 42 9.021 -1.621 -5.561 1.00 44.31 C ATOM 323 OG SER A 42 9.912 -2.627 -5.985 1.00 73.11 O ATOM 0 H SER A 42 7.575 -3.389 -4.700 1.00 4.41 H new ATOM 0 HA SER A 42 9.613 -1.785 -3.499 1.00 52.15 H new ATOM 0 HB2 SER A 42 8.102 -1.679 -6.145 1.00 44.31 H new ATOM 0 HB3 SER A 42 9.460 -0.642 -5.754 1.00 44.31 H new ATOM 0 HG SER A 42 9.414 -3.330 -6.452 1.00 73.11 H new ATOM 324 N PRO A 43 8.212 0.107 -2.468 1.00 42.10 N ATOM 325 CA PRO A 43 7.457 1.234 -1.927 1.00 74.52 C ATOM 326 C PRO A 43 7.963 2.585 -2.447 1.00 34.11 C ATOM 327 O PRO A 43 7.334 3.614 -2.258 1.00 30.45 O ATOM 328 CB PRO A 43 7.708 1.109 -0.424 1.00 54.11 C ATOM 329 CG PRO A 43 9.074 0.498 -0.302 1.00 74.02 C ATOM 330 CD PRO A 43 9.342 -0.264 -1.584 1.00 63.13 C ATOM 0 HA PRO A 43 6.405 1.205 -2.212 1.00 74.52 H new ATOM 0 HB2 PRO A 43 7.667 2.083 0.064 1.00 54.11 H new ATOM 0 HB3 PRO A 43 6.953 0.483 0.051 1.00 54.11 H new ATOM 0 HG2 PRO A 43 9.828 1.270 -0.149 1.00 74.02 H new ATOM 0 HG3 PRO A 43 9.121 -0.169 0.559 1.00 74.02 H new ATOM 0 HD2 PRO A 43 10.300 0.017 -2.022 1.00 63.13 H new ATOM 0 HD3 PRO A 43 9.375 -1.339 -1.409 1.00 63.13 H new ATOM 331 N SER A 44 9.095 2.561 -3.101 1.00 33.03 N ATOM 332 CA SER A 44 9.706 3.760 -3.626 1.00 55.11 C ATOM 333 C SER A 44 9.556 3.793 -5.144 1.00 72.42 C ATOM 334 O SER A 44 10.198 4.570 -5.838 1.00 53.33 O ATOM 335 CB SER A 44 11.174 3.770 -3.220 1.00 32.34 C ATOM 336 OG SER A 44 11.285 3.573 -1.813 1.00 41.15 O ATOM 0 H SER A 44 9.623 1.708 -3.286 1.00 33.03 H new ATOM 0 HA SER A 44 9.217 4.647 -3.223 1.00 55.11 H new ATOM 0 HB2 SER A 44 11.713 2.985 -3.750 1.00 32.34 H new ATOM 0 HB3 SER A 44 11.633 4.718 -3.501 1.00 32.34 H new ATOM 0 HG SER A 44 12.231 3.578 -1.556 1.00 41.15 H new ATOM 337 N LEU A 45 8.677 2.960 -5.635 1.00 41.21 N ATOM 338 CA LEU A 45 8.427 2.853 -7.036 1.00 71.21 C ATOM 339 C LEU A 45 6.942 3.084 -7.226 1.00 12.31 C ATOM 340 O LEU A 45 6.133 2.569 -6.446 1.00 61.03 O ATOM 341 CB LEU A 45 8.892 1.444 -7.523 1.00 64.43 C ATOM 342 CG LEU A 45 8.944 1.138 -9.050 1.00 33.35 C ATOM 343 CD1 LEU A 45 7.565 0.958 -9.662 1.00 20.14 C ATOM 344 CD2 LEU A 45 9.726 2.214 -9.794 1.00 14.35 C ATOM 0 H LEU A 45 8.112 2.333 -5.062 1.00 41.21 H new ATOM 0 HA LEU A 45 8.978 3.585 -7.627 1.00 71.21 H new ATOM 0 HB2 LEU A 45 9.891 1.273 -7.122 1.00 64.43 H new ATOM 0 HB3 LEU A 45 8.234 0.706 -7.064 1.00 64.43 H new ATOM 0 HG LEU A 45 9.464 0.186 -9.158 1.00 33.35 H new ATOM 0 HD11 LEU A 45 7.664 0.747 -10.727 1.00 20.14 H new ATOM 0 HD12 LEU A 45 7.056 0.127 -9.174 1.00 20.14 H new ATOM 0 HD13 LEU A 45 6.984 1.870 -9.525 1.00 20.14 H new ATOM 0 HD21 LEU A 45 9.748 1.978 -10.858 1.00 14.35 H new ATOM 0 HD22 LEU A 45 9.245 3.181 -9.647 1.00 14.35 H new ATOM 0 HD23 LEU A 45 10.745 2.254 -9.410 1.00 14.35 H new ATOM 345 N ASN A 46 6.588 3.897 -8.207 1.00 51.20 N ATOM 346 CA ASN A 46 5.187 4.209 -8.479 1.00 55.41 C ATOM 347 C ASN A 46 4.507 2.963 -9.019 1.00 25.44 C ATOM 348 O ASN A 46 4.638 2.619 -10.193 1.00 31.34 O ATOM 349 CB ASN A 46 5.059 5.377 -9.485 1.00 12.41 C ATOM 350 CG ASN A 46 3.620 5.888 -9.676 1.00 11.44 C ATOM 351 OD1 ASN A 46 2.647 5.162 -9.527 1.00 74.53 O ATOM 352 ND2 ASN A 46 3.487 7.150 -10.013 1.00 3.31 N ATOM 0 H ASN A 46 7.250 4.356 -8.832 1.00 51.20 H new ATOM 0 HA ASN A 46 4.704 4.524 -7.554 1.00 55.41 H new ATOM 0 HB2 ASN A 46 5.685 6.203 -9.147 1.00 12.41 H new ATOM 0 HB3 ASN A 46 5.450 5.055 -10.450 1.00 12.41 H new ATOM 0 HD21 ASN A 46 2.557 7.544 -10.156 1.00 3.31 H new ATOM 0 HD22 ASN A 46 4.313 7.736 -10.131 1.00 3.31 H new ATOM 353 N CYS A 47 3.851 2.261 -8.149 1.00 70.22 N ATOM 354 CA CYS A 47 3.218 1.042 -8.509 1.00 73.53 C ATOM 355 C CYS A 47 1.761 1.028 -8.068 1.00 62.41 C ATOM 356 O CYS A 47 1.437 0.620 -6.944 1.00 45.40 O ATOM 357 CB CYS A 47 3.994 -0.141 -7.919 1.00 34.12 C ATOM 358 SG CYS A 47 3.292 -1.797 -8.245 1.00 51.33 S ATOM 0 H CYS A 47 3.742 2.522 -7.169 1.00 70.22 H new ATOM 0 HA CYS A 47 3.224 0.951 -9.595 1.00 73.53 H new ATOM 0 HB2 CYS A 47 5.011 -0.115 -8.310 1.00 34.12 H new ATOM 0 HB3 CYS A 47 4.064 -0.003 -6.840 1.00 34.12 H new ATOM 359 N PRO A 48 0.853 1.501 -8.938 1.00 13.34 N ATOM 360 CA PRO A 48 -0.586 1.489 -8.679 1.00 1.33 C ATOM 361 C PRO A 48 -1.174 0.138 -9.107 1.00 62.23 C ATOM 362 O PRO A 48 -2.221 0.063 -9.754 1.00 2.00 O ATOM 363 CB PRO A 48 -1.092 2.617 -9.587 1.00 73.44 C ATOM 364 CG PRO A 48 -0.162 2.627 -10.752 1.00 62.41 C ATOM 365 CD PRO A 48 1.169 2.132 -10.249 1.00 72.42 C ATOM 0 HA PRO A 48 -0.857 1.626 -7.632 1.00 1.33 H new ATOM 0 HB2 PRO A 48 -2.119 2.436 -9.904 1.00 73.44 H new ATOM 0 HB3 PRO A 48 -1.083 3.575 -9.067 1.00 73.44 H new ATOM 0 HG2 PRO A 48 -0.536 1.987 -11.551 1.00 62.41 H new ATOM 0 HG3 PRO A 48 -0.070 3.632 -11.165 1.00 62.41 H new ATOM 0 HD2 PRO A 48 1.614 1.415 -10.939 1.00 72.42 H new ATOM 0 HD3 PRO A 48 1.881 2.950 -10.136 1.00 72.42 H new ATOM 366 N HIS A 49 -0.495 -0.937 -8.682 1.00 13.00 N ATOM 367 CA HIS A 49 -0.799 -2.320 -9.056 1.00 23.44 C ATOM 368 C HIS A 49 -0.891 -2.552 -10.540 1.00 61.41 C ATOM 369 O HIS A 49 -1.796 -3.228 -11.044 1.00 1.44 O ATOM 370 CB HIS A 49 -1.920 -3.018 -8.241 1.00 5.11 C ATOM 371 CG HIS A 49 -3.238 -2.299 -8.108 1.00 64.33 C ATOM 372 ND1 HIS A 49 -3.610 -1.609 -6.972 1.00 71.42 N ATOM 373 CD2 HIS A 49 -4.279 -2.178 -8.972 1.00 23.55 C ATOM 374 CE1 HIS A 49 -4.813 -1.096 -7.144 1.00 45.31 C ATOM 375 NE2 HIS A 49 -5.240 -1.425 -8.347 1.00 10.24 N ATOM 0 H HIS A 49 0.303 -0.863 -8.051 1.00 13.00 H new ATOM 0 HA HIS A 49 0.098 -2.850 -8.736 1.00 23.44 H new ATOM 0 HB2 HIS A 49 -2.112 -3.989 -8.697 1.00 5.11 H new ATOM 0 HB3 HIS A 49 -1.538 -3.207 -7.238 1.00 5.11 H new ATOM 0 HD2 HIS A 49 -4.339 -2.597 -9.966 1.00 23.55 H new ATOM 0 HE1 HIS A 49 -5.357 -0.506 -6.421 1.00 45.31 H new ATOM 0 HE2 HIS A 49 -6.140 -1.162 -8.748 1.00 10.24 H new ATOM 376 N ARG A 50 0.006 -1.916 -11.239 1.00 52.41 N ATOM 377 CA ARG A 50 0.226 -2.185 -12.637 1.00 32.44 C ATOM 378 C ARG A 50 1.480 -3.003 -12.735 1.00 2.02 C ATOM 379 O ARG A 50 1.622 -3.819 -13.615 1.00 22.53 O ATOM 380 CB ARG A 50 0.294 -0.896 -13.469 1.00 2.12 C ATOM 381 CG ARG A 50 -1.030 -0.104 -13.530 1.00 64.34 C ATOM 382 CD ARG A 50 -2.157 -0.868 -14.266 1.00 72.42 C ATOM 383 NE ARG A 50 -2.535 -2.134 -13.594 1.00 53.33 N ATOM 384 CZ ARG A 50 -3.116 -3.192 -14.178 1.00 5.11 C ATOM 385 NH1 ARG A 50 -3.538 -3.122 -15.446 1.00 70.24 N ATOM 386 NH2 ARG A 50 -3.275 -4.317 -13.475 1.00 61.10 N ATOM 0 H ARG A 50 0.611 -1.190 -10.854 1.00 52.41 H new ATOM 0 HA ARG A 50 -0.613 -2.740 -13.056 1.00 32.44 H new ATOM 0 HB2 ARG A 50 1.070 -0.252 -13.055 1.00 2.12 H new ATOM 0 HB3 ARG A 50 0.598 -1.149 -14.484 1.00 2.12 H new ATOM 0 HG2 ARG A 50 -1.357 0.126 -12.516 1.00 64.34 H new ATOM 0 HG3 ARG A 50 -0.855 0.847 -14.032 1.00 64.34 H new ATOM 0 HD2 ARG A 50 -3.035 -0.226 -14.340 1.00 72.42 H new ATOM 0 HD3 ARG A 50 -1.835 -1.086 -15.284 1.00 72.42 H new ATOM 0 HE ARG A 50 -2.335 -2.207 -12.596 1.00 53.33 H new ATOM 0 HH11 ARG A 50 -3.419 -2.259 -15.976 1.00 70.24 H new ATOM 0 HH12 ARG A 50 -3.979 -3.932 -15.882 1.00 70.24 H new ATOM 0 HH21 ARG A 50 -2.956 -4.363 -12.507 1.00 61.10 H new ATOM 0 HH22 ARG A 50 -3.715 -5.130 -13.906 1.00 61.10 H new ATOM 387 N LEU A 51 2.389 -2.725 -11.768 1.00 30.00 N ATOM 388 CA LEU A 51 3.649 -3.480 -11.442 1.00 64.51 C ATOM 389 C LEU A 51 4.521 -4.144 -12.581 1.00 72.42 C ATOM 390 O LEU A 51 5.143 -5.179 -12.315 1.00 45.41 O ATOM 391 CB LEU A 51 3.318 -4.507 -10.399 1.00 31.41 C ATOM 392 CG LEU A 51 2.110 -5.413 -10.666 1.00 55.03 C ATOM 393 CD1 LEU A 51 2.357 -6.278 -11.863 1.00 72.14 C ATOM 394 CD2 LEU A 51 1.765 -6.236 -9.450 1.00 55.24 C ATOM 0 H LEU A 51 2.265 -1.922 -11.152 1.00 30.00 H new ATOM 0 HA LEU A 51 4.319 -2.682 -11.121 1.00 64.51 H new ATOM 0 HB2 LEU A 51 4.193 -5.142 -10.261 1.00 31.41 H new ATOM 0 HB3 LEU A 51 3.149 -3.988 -9.456 1.00 31.41 H new ATOM 0 HG LEU A 51 1.249 -4.780 -10.881 1.00 55.03 H new ATOM 0 HD11 LEU A 51 1.489 -6.914 -12.037 1.00 72.14 H new ATOM 0 HD12 LEU A 51 2.528 -5.650 -12.737 1.00 72.14 H new ATOM 0 HD13 LEU A 51 3.234 -6.901 -11.687 1.00 72.14 H new ATOM 0 HD21 LEU A 51 0.905 -6.868 -9.670 1.00 55.24 H new ATOM 0 HD22 LEU A 51 2.616 -6.862 -9.181 1.00 55.24 H new ATOM 0 HD23 LEU A 51 1.525 -5.573 -8.618 1.00 55.24 H new ATOM 395 N PRO A 52 4.702 -3.518 -13.745 1.00 22.10 N ATOM 396 CA PRO A 52 5.425 -4.097 -14.895 1.00 13.24 C ATOM 397 C PRO A 52 6.810 -4.598 -14.569 1.00 75.20 C ATOM 398 O PRO A 52 7.338 -5.481 -15.236 1.00 54.23 O ATOM 399 CB PRO A 52 5.525 -2.944 -15.883 1.00 34.42 C ATOM 400 CG PRO A 52 5.170 -1.733 -15.095 1.00 60.30 C ATOM 401 CD PRO A 52 4.250 -2.218 -14.026 1.00 5.44 C ATOM 0 HA PRO A 52 4.895 -4.974 -15.266 1.00 13.24 H new ATOM 0 HB2 PRO A 52 6.530 -2.865 -16.298 1.00 34.42 H new ATOM 0 HB3 PRO A 52 4.844 -3.083 -16.723 1.00 34.42 H new ATOM 0 HG2 PRO A 52 6.058 -1.266 -14.668 1.00 60.30 H new ATOM 0 HG3 PRO A 52 4.686 -0.984 -15.721 1.00 60.30 H new ATOM 0 HD2 PRO A 52 4.295 -1.581 -13.143 1.00 5.44 H new ATOM 0 HD3 PRO A 52 3.214 -2.221 -14.364 1.00 5.44 H new ATOM 402 N ASN A 53 7.375 -4.083 -13.536 1.00 21.33 N ATOM 403 CA ASN A 53 8.732 -4.424 -13.214 1.00 12.40 C ATOM 404 C ASN A 53 8.880 -4.916 -11.825 1.00 54.53 C ATOM 405 O ASN A 53 9.985 -4.929 -11.306 1.00 24.04 O ATOM 406 CB ASN A 53 9.689 -3.275 -13.499 1.00 63.42 C ATOM 407 CG ASN A 53 9.663 -2.897 -14.962 1.00 33.45 C ATOM 408 OD1 ASN A 53 8.944 -1.997 -15.367 1.00 73.03 O ATOM 409 ND2 ASN A 53 10.385 -3.625 -15.769 1.00 73.34 N ATOM 0 H ASN A 53 6.929 -3.426 -12.896 1.00 21.33 H new ATOM 0 HA ASN A 53 9.003 -5.249 -13.872 1.00 12.40 H new ATOM 0 HB2 ASN A 53 9.417 -2.412 -12.892 1.00 63.42 H new ATOM 0 HB3 ASN A 53 10.701 -3.560 -13.212 1.00 63.42 H new ATOM 0 HD21 ASN A 53 10.360 -3.450 -16.774 1.00 73.34 H new ATOM 0 HD22 ASN A 53 10.974 -4.369 -15.395 1.00 73.34 H new ATOM 410 N ASN A 54 7.795 -5.393 -11.226 1.00 35.10 N ATOM 411 CA ASN A 54 7.845 -5.798 -9.805 1.00 5.31 C ATOM 412 C ASN A 54 8.557 -7.129 -9.554 1.00 52.32 C ATOM 413 O ASN A 54 8.141 -7.913 -8.767 1.00 20.21 O ATOM 414 CB ASN A 54 6.469 -5.724 -9.073 1.00 52.30 C ATOM 415 CG ASN A 54 5.476 -6.912 -9.309 1.00 10.23 C ATOM 416 OD1 ASN A 54 4.661 -7.227 -8.432 1.00 41.25 O ATOM 417 ND2 ASN A 54 5.507 -7.557 -10.460 1.00 12.34 N ATOM 0 H ASN A 54 6.888 -5.511 -11.677 1.00 35.10 H new ATOM 0 HA ASN A 54 8.473 -5.033 -9.348 1.00 5.31 H new ATOM 0 HB2 ASN A 54 6.658 -5.648 -8.002 1.00 52.30 H new ATOM 0 HB3 ASN A 54 5.973 -4.802 -9.376 1.00 52.30 H new ATOM 0 HD21 ASN A 54 4.856 -8.323 -10.633 1.00 12.34 H new ATOM 0 HD22 ASN A 54 6.182 -7.290 -11.176 1.00 12.34 H new ATOM 418 N LYS A 55 9.639 -7.350 -10.213 1.00 71.33 N ATOM 419 CA LYS A 55 10.434 -8.514 -9.928 1.00 51.12 C ATOM 420 C LYS A 55 11.493 -8.115 -8.888 1.00 54.31 C ATOM 421 O LYS A 55 12.668 -7.874 -9.237 1.00 54.01 O ATOM 422 CB LYS A 55 11.088 -9.064 -11.212 1.00 64.15 C ATOM 423 CG LYS A 55 11.862 -10.369 -11.022 1.00 2.23 C ATOM 424 CD LYS A 55 12.509 -10.849 -12.322 1.00 72.21 C ATOM 425 CE LYS A 55 13.626 -9.919 -12.813 1.00 43.11 C ATOM 426 NZ LYS A 55 14.753 -9.808 -11.848 1.00 41.00 N ATOM 0 H LYS A 55 10.002 -6.749 -10.953 1.00 71.33 H new ATOM 0 HA LYS A 55 9.806 -9.312 -9.531 1.00 51.12 H new ATOM 0 HB2 LYS A 55 10.312 -9.223 -11.960 1.00 64.15 H new ATOM 0 HB3 LYS A 55 11.766 -8.309 -11.611 1.00 64.15 H new ATOM 0 HG2 LYS A 55 12.633 -10.226 -10.265 1.00 2.23 H new ATOM 0 HG3 LYS A 55 11.187 -11.139 -10.648 1.00 2.23 H new ATOM 0 HD2 LYS A 55 12.916 -11.849 -12.172 1.00 72.21 H new ATOM 0 HD3 LYS A 55 11.744 -10.929 -13.094 1.00 72.21 H new ATOM 0 HE2 LYS A 55 14.005 -10.287 -13.766 1.00 43.11 H new ATOM 0 HE3 LYS A 55 13.212 -8.927 -12.996 1.00 43.11 H new ATOM 0 HZ1 LYS A 55 15.534 -9.280 -12.286 1.00 41.00 H new ATOM 0 HZ2 LYS A 55 14.432 -9.307 -10.995 1.00 41.00 H new ATOM 0 HZ3 LYS A 55 15.082 -10.760 -11.587 1.00 41.00 H new ATOM 427 N GLN A 56 11.058 -7.958 -7.638 1.00 70.35 N ATOM 428 CA GLN A 56 11.938 -7.516 -6.571 1.00 71.03 C ATOM 429 C GLN A 56 11.761 -8.384 -5.332 1.00 33.53 C ATOM 430 O GLN A 56 10.658 -8.526 -4.794 1.00 62.42 O ATOM 431 CB GLN A 56 11.736 -6.016 -6.223 1.00 52.34 C ATOM 432 CG GLN A 56 10.443 -5.637 -5.467 1.00 53.45 C ATOM 433 CD GLN A 56 9.144 -5.820 -6.244 1.00 24.44 C ATOM 434 OE1 GLN A 56 8.708 -4.902 -6.940 1.00 60.52 O ATOM 435 NE2 GLN A 56 8.482 -6.951 -6.075 1.00 23.53 N ATOM 0 H GLN A 56 10.097 -8.133 -7.345 1.00 70.35 H new ATOM 0 HA GLN A 56 12.960 -7.626 -6.934 1.00 71.03 H new ATOM 0 HB2 GLN A 56 12.586 -5.690 -5.624 1.00 52.34 H new ATOM 0 HB3 GLN A 56 11.764 -5.446 -7.152 1.00 52.34 H new ATOM 0 HG2 GLN A 56 10.388 -6.235 -4.557 1.00 53.45 H new ATOM 0 HG3 GLN A 56 10.517 -4.594 -5.159 1.00 53.45 H new ATOM 0 HE21 GLN A 56 8.875 -7.689 -5.491 1.00 23.53 H new ATOM 0 HE22 GLN A 56 7.578 -7.086 -6.528 1.00 23.53 H new ATOM 436 N CYS A 57 12.833 -8.943 -4.858 1.00 0.52 N ATOM 437 CA CYS A 57 12.749 -9.850 -3.764 1.00 70.43 C ATOM 438 C CYS A 57 14.101 -10.126 -3.186 1.00 52.41 C ATOM 439 O CYS A 57 15.102 -9.535 -3.598 1.00 42.41 O ATOM 440 CB CYS A 57 12.188 -11.133 -4.278 1.00 32.01 C ATOM 441 SG CYS A 57 13.081 -11.755 -5.721 1.00 2.44 S ATOM 0 H CYS A 57 13.775 -8.784 -5.215 1.00 0.52 H new ATOM 0 HA CYS A 57 12.121 -9.414 -2.987 1.00 70.43 H new ATOM 0 HB2 CYS A 57 12.219 -11.881 -3.486 1.00 32.01 H new ATOM 0 HB3 CYS A 57 11.140 -10.988 -4.539 1.00 32.01 H new ATOM 442 N ARG A 58 14.115 -10.949 -2.183 1.00 22.44 N ATOM 443 CA ARG A 58 15.330 -11.457 -1.635 1.00 31.41 C ATOM 444 C ARG A 58 15.313 -12.978 -1.730 1.00 74.12 C ATOM 445 O ARG A 58 14.270 -13.609 -1.533 1.00 13.23 O ATOM 446 CB ARG A 58 15.537 -10.976 -0.199 1.00 45.23 C ATOM 447 CG ARG A 58 14.470 -11.401 0.789 1.00 73.43 C ATOM 448 CD ARG A 58 14.775 -10.855 2.163 1.00 35.12 C ATOM 449 NE ARG A 58 13.763 -11.241 3.149 1.00 25.25 N ATOM 450 CZ ARG A 58 13.403 -10.551 4.229 1.00 33.21 C ATOM 451 NH1 ARG A 58 13.964 -9.365 4.509 1.00 4.23 N ATOM 452 NH2 ARG A 58 12.477 -11.062 5.023 1.00 63.31 N ATOM 0 H ARG A 58 13.273 -11.289 -1.718 1.00 22.44 H new ATOM 0 HA ARG A 58 16.176 -11.077 -2.208 1.00 31.41 H new ATOM 0 HB2 ARG A 58 16.501 -11.342 0.153 1.00 45.23 H new ATOM 0 HB3 ARG A 58 15.592 -9.887 -0.203 1.00 45.23 H new ATOM 0 HG2 ARG A 58 13.495 -11.043 0.457 1.00 73.43 H new ATOM 0 HG3 ARG A 58 14.414 -12.489 0.828 1.00 73.43 H new ATOM 0 HD2 ARG A 58 15.751 -11.215 2.487 1.00 35.12 H new ATOM 0 HD3 ARG A 58 14.837 -9.768 2.115 1.00 35.12 H new ATOM 0 HE ARG A 58 13.286 -12.129 2.992 1.00 25.25 H new ATOM 0 HH11 ARG A 58 14.677 -8.980 3.890 1.00 4.23 H new ATOM 0 HH12 ARG A 58 13.677 -8.849 5.341 1.00 4.23 H new ATOM 0 HH21 ARG A 58 12.057 -11.965 4.801 1.00 63.31 H new ATOM 0 HH22 ARG A 58 12.183 -10.554 5.857 1.00 63.31 H new ATOM 453 N CYS A 59 16.437 -13.546 -2.029 1.00 10.42 N ATOM 454 CA CYS A 59 16.564 -14.949 -2.228 1.00 14.10 C ATOM 455 C CYS A 59 17.443 -15.490 -1.126 1.00 14.51 C ATOM 456 O CYS A 59 18.607 -15.118 -1.004 1.00 62.44 O ATOM 457 CB CYS A 59 17.176 -15.231 -3.605 1.00 3.33 C ATOM 458 SG CYS A 59 16.271 -14.500 -5.027 1.00 20.13 S ATOM 0 H CYS A 59 17.311 -13.033 -2.144 1.00 10.42 H new ATOM 0 HA CYS A 59 15.589 -15.434 -2.197 1.00 14.10 H new ATOM 0 HB2 CYS A 59 18.199 -14.855 -3.614 1.00 3.33 H new ATOM 0 HB3 CYS A 59 17.231 -16.310 -3.746 1.00 3.33 H new ATOM 459 N ILE A 60 16.881 -16.327 -0.325 1.00 35.23 N ATOM 460 CA ILE A 60 17.537 -16.843 0.869 1.00 23.34 C ATOM 461 C ILE A 60 18.299 -18.036 0.486 1.00 12.10 C ATOM 462 O ILE A 60 17.762 -18.845 -0.243 1.00 52.43 O ATOM 463 CB ILE A 60 16.489 -17.320 1.881 1.00 44.13 C ATOM 464 CG1 ILE A 60 15.341 -16.347 1.918 1.00 73.35 C ATOM 465 CG2 ILE A 60 17.099 -17.522 3.268 1.00 44.15 C ATOM 466 CD1 ILE A 60 15.704 -14.937 2.340 1.00 50.04 C ATOM 0 H ILE A 60 15.938 -16.690 -0.466 1.00 35.23 H new ATOM 0 HA ILE A 60 18.162 -16.059 1.297 1.00 23.34 H new ATOM 0 HB ILE A 60 16.112 -18.292 1.561 1.00 44.13 H new ATOM 0 HG12 ILE A 60 14.887 -16.307 0.928 1.00 73.35 H new ATOM 0 HG13 ILE A 60 14.583 -16.730 2.601 1.00 73.35 H new ATOM 0 HG21 ILE A 60 16.327 -17.860 3.959 1.00 44.15 H new ATOM 0 HG22 ILE A 60 17.889 -18.270 3.212 1.00 44.15 H new ATOM 0 HG23 ILE A 60 17.516 -16.580 3.623 1.00 44.15 H new ATOM 0 HD11 ILE A 60 14.810 -14.314 2.335 1.00 50.04 H new ATOM 0 HD12 ILE A 60 16.127 -14.955 3.344 1.00 50.04 H new ATOM 0 HD13 ILE A 60 16.436 -14.526 1.645 1.00 50.04 H new ATOM 467 N ASN A 61 19.532 -18.158 0.960 1.00 43.24 N ATOM 468 CA ASN A 61 20.358 -19.344 0.687 1.00 42.03 C ATOM 469 C ASN A 61 20.598 -19.470 -0.798 1.00 43.15 C ATOM 470 O ASN A 61 20.722 -20.575 -1.320 1.00 10.34 O ATOM 471 CB ASN A 61 19.653 -20.621 1.199 1.00 65.40 C ATOM 472 CG ASN A 61 19.550 -20.739 2.711 1.00 15.11 C ATOM 473 OD1 ASN A 61 19.633 -19.754 3.443 1.00 4.04 O ATOM 474 ND2 ASN A 61 19.244 -21.920 3.176 1.00 3.20 N ATOM 0 H ASN A 61 19.990 -17.453 1.537 1.00 43.24 H new ATOM 0 HA ASN A 61 21.310 -19.230 1.205 1.00 42.03 H new ATOM 0 HB2 ASN A 61 18.648 -20.656 0.778 1.00 65.40 H new ATOM 0 HB3 ASN A 61 20.189 -21.491 0.818 1.00 65.40 H new ATOM 0 HD21 ASN A 61 19.066 -22.045 4.172 1.00 3.20 H new ATOM 0 HD22 ASN A 61 19.183 -22.717 2.543 1.00 3.20 H new ATOM 475 N ALA A 62 20.642 -18.329 -1.487 1.00 72.32 N ATOM 476 CA ALA A 62 20.896 -18.329 -2.896 1.00 11.34 C ATOM 477 C ALA A 62 22.287 -18.866 -3.128 1.00 54.03 C ATOM 478 O ALA A 62 23.250 -18.409 -2.521 1.00 42.11 O ATOM 479 CB ALA A 62 20.742 -16.951 -3.478 1.00 21.42 C ATOM 0 H ALA A 62 20.503 -17.405 -1.078 1.00 72.32 H new ATOM 0 HA ALA A 62 20.168 -18.965 -3.399 1.00 11.34 H new ATOM 0 HB1 ALA A 62 20.941 -16.984 -4.549 1.00 21.42 H new ATOM 0 HB2 ALA A 62 19.725 -16.596 -3.309 1.00 21.42 H new ATOM 0 HB3 ALA A 62 21.448 -16.273 -2.998 1.00 21.42 H new ATOM 480 N ARG A 63 22.371 -19.839 -3.971 1.00 23.32 N ATOM 481 CA ARG A 63 23.600 -20.560 -4.182 1.00 14.44 C ATOM 482 C ARG A 63 24.193 -20.284 -5.507 1.00 52.25 C ATOM 483 O ARG A 63 25.314 -20.687 -5.803 1.00 22.33 O ATOM 484 CB ARG A 63 23.344 -22.024 -3.967 1.00 53.45 C ATOM 485 CG ARG A 63 23.128 -22.293 -2.512 1.00 4.33 C ATOM 486 CD ARG A 63 22.483 -23.631 -2.220 1.00 63.51 C ATOM 487 NE ARG A 63 21.064 -23.636 -2.588 1.00 31.21 N ATOM 488 CZ ARG A 63 20.043 -23.855 -1.736 1.00 12.30 C ATOM 489 NH1 ARG A 63 20.265 -24.063 -0.441 1.00 33.24 N ATOM 490 NH2 ARG A 63 18.804 -23.826 -2.182 1.00 4.30 N ATOM 0 H ARG A 63 21.590 -20.165 -4.541 1.00 23.32 H new ATOM 0 HA ARG A 63 24.341 -20.218 -3.459 1.00 14.44 H new ATOM 0 HB2 ARG A 63 22.470 -22.337 -4.538 1.00 53.45 H new ATOM 0 HB3 ARG A 63 24.189 -22.608 -4.332 1.00 53.45 H new ATOM 0 HG2 ARG A 63 24.088 -22.245 -1.998 1.00 4.33 H new ATOM 0 HG3 ARG A 63 22.504 -21.502 -2.096 1.00 4.33 H new ATOM 0 HD2 ARG A 63 23.005 -24.415 -2.769 1.00 63.51 H new ATOM 0 HD3 ARG A 63 22.586 -23.862 -1.160 1.00 63.51 H new ATOM 0 HE ARG A 63 20.831 -23.460 -3.565 1.00 31.21 H new ATOM 0 HH11 ARG A 63 21.219 -24.058 -0.080 1.00 33.24 H new ATOM 0 HH12 ARG A 63 19.481 -24.227 0.191 1.00 33.24 H new ATOM 0 HH21 ARG A 63 18.621 -23.639 -3.168 1.00 4.30 H new ATOM 0 HH22 ARG A 63 18.027 -23.991 -1.542 1.00 4.30 H new ATOM 491 N THR A 64 23.452 -19.633 -6.318 1.00 55.42 N ATOM 492 CA THR A 64 23.982 -19.231 -7.582 1.00 22.23 C ATOM 493 C THR A 64 23.899 -17.758 -7.765 1.00 73.33 C ATOM 494 O THR A 64 23.167 -17.056 -7.060 1.00 45.24 O ATOM 495 CB THR A 64 23.364 -19.946 -8.831 1.00 42.40 C ATOM 496 OG1 THR A 64 21.989 -19.610 -9.027 1.00 63.34 O ATOM 497 CG2 THR A 64 23.458 -21.417 -8.694 1.00 53.51 C ATOM 0 H THR A 64 22.484 -19.364 -6.142 1.00 55.42 H new ATOM 0 HA THR A 64 25.023 -19.551 -7.537 1.00 22.23 H new ATOM 0 HB THR A 64 23.939 -19.601 -9.690 1.00 42.40 H new ATOM 0 HG1 THR A 64 21.926 -18.781 -9.545 1.00 63.34 H new ATOM 0 HG21 THR A 64 23.023 -21.893 -9.573 1.00 53.51 H new ATOM 0 HG22 THR A 64 24.505 -21.708 -8.605 1.00 53.51 H new ATOM 0 HG23 THR A 64 22.916 -21.735 -7.803 1.00 53.51 H new ATOM 498 N ALA A 65 24.639 -17.310 -8.721 1.00 51.52 N ATOM 499 CA ALA A 65 24.638 -15.939 -9.135 1.00 50.03 C ATOM 500 C ALA A 65 23.412 -15.708 -9.999 1.00 61.34 C ATOM 501 O ALA A 65 22.661 -16.672 -10.277 1.00 60.34 O ATOM 502 CB ALA A 65 25.911 -15.616 -9.908 1.00 2.24 C ATOM 0 H ALA A 65 25.280 -17.898 -9.253 1.00 51.52 H new ATOM 0 HA ALA A 65 24.607 -15.283 -8.265 1.00 50.03 H new ATOM 0 HB1 ALA A 65 25.895 -14.570 -10.215 1.00 2.24 H new ATOM 0 HB2 ALA A 65 26.778 -15.794 -9.272 1.00 2.24 H new ATOM 0 HB3 ALA A 65 25.972 -16.253 -10.791 1.00 2.24 H new ATOM 503 N LYS A 66 23.160 -14.451 -10.357 1.00 21.23 N ATOM 504 CA LYS A 66 22.055 -14.111 -11.235 1.00 63.42 C ATOM 505 C LYS A 66 22.194 -14.944 -12.499 1.00 72.31 C ATOM 506 O LYS A 66 23.260 -14.993 -13.109 1.00 50.11 O ATOM 507 CB LYS A 66 22.093 -12.631 -11.602 1.00 13.13 C ATOM 508 CG LYS A 66 20.747 -11.890 -11.497 1.00 12.23 C ATOM 509 CD LYS A 66 19.643 -12.448 -12.399 1.00 43.31 C ATOM 510 CE LYS A 66 20.034 -12.442 -13.863 1.00 41.12 C ATOM 511 NZ LYS A 66 20.369 -11.088 -14.370 1.00 43.14 N ATOM 0 H LYS A 66 23.712 -13.651 -10.048 1.00 21.23 H new ATOM 0 HA LYS A 66 21.110 -14.314 -10.732 1.00 63.42 H new ATOM 0 HB2 LYS A 66 22.815 -12.132 -10.955 1.00 13.13 H new ATOM 0 HB3 LYS A 66 22.462 -12.537 -12.623 1.00 13.13 H new ATOM 0 HG2 LYS A 66 20.406 -11.926 -10.462 1.00 12.23 H new ATOM 0 HG3 LYS A 66 20.904 -10.840 -11.744 1.00 12.23 H new ATOM 0 HD2 LYS A 66 19.408 -13.467 -12.093 1.00 43.31 H new ATOM 0 HD3 LYS A 66 18.736 -11.858 -12.266 1.00 43.31 H new ATOM 0 HE2 LYS A 66 20.891 -13.100 -14.007 1.00 41.12 H new ATOM 0 HE3 LYS A 66 19.215 -12.852 -14.454 1.00 41.12 H new ATOM 0 HZ1 LYS A 66 20.741 -11.162 -15.338 1.00 43.14 H new ATOM 0 HZ2 LYS A 66 19.514 -10.497 -14.372 1.00 43.14 H new ATOM 0 HZ3 LYS A 66 21.088 -10.655 -13.755 1.00 43.14 H new ATOM 512 N ASP A 67 21.134 -15.543 -12.889 1.00 32.34 N ATOM 513 CA ASP A 67 21.174 -16.514 -13.968 1.00 63.14 C ATOM 514 C ASP A 67 20.599 -15.872 -15.196 1.00 10.34 C ATOM 515 O ASP A 67 19.548 -15.274 -15.130 1.00 63.32 O ATOM 516 CB ASP A 67 20.353 -17.753 -13.590 1.00 24.24 C ATOM 517 CG ASP A 67 20.697 -18.983 -14.407 1.00 24.15 C ATOM 518 OD1 ASP A 67 20.545 -18.974 -15.643 1.00 41.44 O ATOM 519 OD2 ASP A 67 21.160 -20.004 -13.800 1.00 25.23 O ATOM 0 H ASP A 67 20.209 -15.391 -12.487 1.00 32.34 H new ATOM 0 HA ASP A 67 22.201 -16.827 -14.154 1.00 63.14 H new ATOM 0 HB2 ASP A 67 20.509 -17.973 -12.534 1.00 24.24 H new ATOM 0 HB3 ASP A 67 19.294 -17.529 -13.716 1.00 24.24 H new ATOM 520 N ASN A 68 21.287 -15.943 -16.289 1.00 15.34 N ATOM 521 CA ASN A 68 20.807 -15.302 -17.504 1.00 35.44 C ATOM 522 C ASN A 68 20.408 -16.274 -18.576 1.00 20.31 C ATOM 523 O ASN A 68 20.047 -15.867 -19.678 1.00 40.12 O ATOM 524 CB ASN A 68 21.764 -14.228 -18.035 1.00 61.52 C ATOM 525 CG ASN A 68 21.307 -12.816 -17.675 1.00 52.51 C ATOM 526 OD1 ASN A 68 21.658 -12.262 -16.628 1.00 24.04 O ATOM 527 ND2 ASN A 68 20.511 -12.223 -18.532 1.00 31.24 N ATOM 0 H ASN A 68 22.178 -16.431 -16.382 1.00 15.34 H new ATOM 0 HA ASN A 68 19.894 -14.788 -17.205 1.00 35.44 H new ATOM 0 HB2 ASN A 68 22.761 -14.400 -17.629 1.00 61.52 H new ATOM 0 HB3 ASN A 68 21.842 -14.317 -19.119 1.00 61.52 H new ATOM 0 HD21 ASN A 68 20.167 -11.282 -18.341 1.00 31.24 H new ATOM 0 HD22 ASN A 68 20.236 -12.703 -19.389 1.00 31.24 H new ATOM 528 N ARG A 69 20.445 -17.562 -18.266 1.00 42.54 N ATOM 529 CA ARG A 69 20.036 -18.562 -19.247 1.00 71.44 C ATOM 530 C ARG A 69 18.519 -18.571 -19.266 1.00 41.13 C ATOM 531 O ARG A 69 17.879 -18.877 -20.266 1.00 11.54 O ATOM 532 CB ARG A 69 20.590 -19.949 -18.860 1.00 5.22 C ATOM 533 CG ARG A 69 19.623 -20.879 -18.116 1.00 34.31 C ATOM 534 CD ARG A 69 20.358 -22.032 -17.486 1.00 41.31 C ATOM 535 NE ARG A 69 21.229 -21.551 -16.413 1.00 51.21 N ATOM 536 CZ ARG A 69 22.367 -22.097 -16.006 1.00 33.11 C ATOM 537 NH1 ARG A 69 22.889 -23.151 -16.650 1.00 24.44 N ATOM 538 NH2 ARG A 69 22.985 -21.578 -14.955 1.00 33.20 N ATOM 0 H ARG A 69 20.746 -17.935 -17.366 1.00 42.54 H new ATOM 0 HA ARG A 69 20.428 -18.323 -20.236 1.00 71.44 H new ATOM 0 HB2 ARG A 69 20.919 -20.453 -19.769 1.00 5.22 H new ATOM 0 HB3 ARG A 69 21.473 -19.804 -18.238 1.00 5.22 H new ATOM 0 HG2 ARG A 69 19.093 -20.318 -17.347 1.00 34.31 H new ATOM 0 HG3 ARG A 69 18.872 -21.258 -18.809 1.00 34.31 H new ATOM 0 HD2 ARG A 69 19.645 -22.754 -17.089 1.00 41.31 H new ATOM 0 HD3 ARG A 69 20.950 -22.551 -18.240 1.00 41.31 H new ATOM 0 HE ARG A 69 20.929 -20.706 -15.926 1.00 51.21 H new ATOM 0 HH11 ARG A 69 22.410 -23.541 -17.462 1.00 24.44 H new ATOM 0 HH12 ARG A 69 23.765 -23.563 -16.328 1.00 24.44 H new ATOM 0 HH21 ARG A 69 22.584 -20.773 -14.474 1.00 33.20 H new ATOM 0 HH22 ARG A 69 23.861 -21.984 -14.627 1.00 33.20 H new ATOM 539 N ASN A 70 17.980 -18.214 -18.128 1.00 32.52 N ATOM 540 CA ASN A 70 16.568 -18.114 -17.910 1.00 34.53 C ATOM 541 C ASN A 70 16.087 -16.794 -18.472 1.00 35.34 C ATOM 542 O ASN A 70 16.479 -15.736 -17.968 1.00 51.14 O ATOM 543 CB ASN A 70 16.262 -18.132 -16.407 1.00 73.22 C ATOM 544 CG ASN A 70 16.760 -19.359 -15.678 1.00 52.12 C ATOM 545 OD1 ASN A 70 16.825 -20.449 -16.224 1.00 32.45 O ATOM 546 ND2 ASN A 70 17.133 -19.178 -14.434 1.00 61.21 N ATOM 0 H ASN A 70 18.534 -17.978 -17.304 1.00 32.52 H new ATOM 0 HA ASN A 70 16.070 -18.954 -18.395 1.00 34.53 H new ATOM 0 HB2 ASN A 70 16.706 -17.248 -15.949 1.00 73.22 H new ATOM 0 HB3 ASN A 70 15.184 -18.056 -16.268 1.00 73.22 H new ATOM 0 HD21 ASN A 70 17.492 -19.963 -13.890 1.00 61.21 H new ATOM 0 HD22 ASN A 70 17.064 -18.253 -14.011 1.00 61.21 H new ATOM 547 N PRO A 71 15.233 -16.813 -19.513 1.00 65.31 N ATOM 548 CA PRO A 71 14.698 -15.583 -20.128 1.00 51.32 C ATOM 549 C PRO A 71 13.903 -14.747 -19.122 1.00 25.35 C ATOM 550 O PRO A 71 13.845 -13.530 -19.206 1.00 73.53 O ATOM 551 CB PRO A 71 13.768 -16.106 -21.230 1.00 53.22 C ATOM 552 CG PRO A 71 14.243 -17.489 -21.510 1.00 34.40 C ATOM 553 CD PRO A 71 14.744 -18.025 -20.201 1.00 40.34 C ATOM 0 HA PRO A 71 15.490 -14.931 -20.497 1.00 51.32 H new ATOM 0 HB2 PRO A 71 12.728 -16.104 -20.903 1.00 53.22 H new ATOM 0 HB3 PRO A 71 13.823 -15.482 -22.122 1.00 53.22 H new ATOM 0 HG2 PRO A 71 13.435 -18.107 -21.902 1.00 34.40 H new ATOM 0 HG3 PRO A 71 15.035 -17.486 -22.259 1.00 34.40 H new ATOM 0 HD2 PRO A 71 13.952 -18.518 -19.637 1.00 40.34 H new ATOM 0 HD3 PRO A 71 15.539 -18.758 -20.342 1.00 40.34 H new ATOM 554 N THR A 72 13.358 -15.420 -18.132 1.00 25.34 N ATOM 555 CA THR A 72 12.561 -14.802 -17.103 1.00 51.14 C ATOM 556 C THR A 72 13.435 -14.124 -16.036 1.00 43.32 C ATOM 557 O THR A 72 12.932 -13.553 -15.066 1.00 71.23 O ATOM 558 CB THR A 72 11.674 -15.867 -16.463 1.00 33.54 C ATOM 559 OG1 THR A 72 12.476 -17.036 -16.185 1.00 55.33 O ATOM 560 CG2 THR A 72 10.532 -16.248 -17.397 1.00 42.12 C ATOM 0 H THR A 72 13.460 -16.429 -18.021 1.00 25.34 H new ATOM 0 HA THR A 72 11.947 -14.024 -17.556 1.00 51.14 H new ATOM 0 HB THR A 72 11.249 -15.470 -15.541 1.00 33.54 H new ATOM 0 HG1 THR A 72 11.916 -17.726 -15.772 1.00 55.33 H new ATOM 0 HG21 THR A 72 9.912 -17.008 -16.922 1.00 42.12 H new ATOM 0 HG22 THR A 72 9.927 -15.367 -17.610 1.00 42.12 H new ATOM 0 HG23 THR A 72 10.939 -16.642 -18.328 1.00 42.12 H new ATOM 561 N CYS A 73 14.731 -14.212 -16.217 1.00 22.33 N ATOM 562 CA CYS A 73 15.677 -13.600 -15.324 1.00 22.32 C ATOM 563 C CYS A 73 16.401 -12.464 -15.996 1.00 3.54 C ATOM 564 O CYS A 73 17.414 -11.977 -15.474 1.00 11.44 O ATOM 565 CB CYS A 73 16.701 -14.602 -14.841 1.00 54.32 C ATOM 566 SG CYS A 73 16.127 -15.835 -13.632 1.00 10.33 S ATOM 0 H CYS A 73 15.159 -14.715 -16.995 1.00 22.33 H new ATOM 0 HA CYS A 73 15.109 -13.221 -14.474 1.00 22.32 H new ATOM 0 HB2 CYS A 73 17.094 -15.133 -15.708 1.00 54.32 H new ATOM 0 HB3 CYS A 73 17.533 -14.053 -14.399 1.00 54.32 H new ATOM 567 N TRP A 74 15.928 -12.032 -17.148 1.00 30.51 N ATOM 568 CA TRP A 74 16.568 -10.913 -17.789 1.00 52.22 C ATOM 569 C TRP A 74 16.128 -9.612 -17.153 1.00 43.44 C ATOM 570 O TRP A 74 15.133 -9.004 -17.544 1.00 35.30 O ATOM 571 CB TRP A 74 16.374 -10.925 -19.311 1.00 63.24 C ATOM 572 CG TRP A 74 17.264 -11.922 -20.007 1.00 54.34 C ATOM 573 CD1 TRP A 74 17.368 -13.255 -19.748 1.00 70.15 C ATOM 574 CD2 TRP A 74 18.169 -11.655 -21.087 1.00 64.31 C ATOM 575 NE1 TRP A 74 18.302 -13.825 -20.573 1.00 33.10 N ATOM 576 CE2 TRP A 74 18.799 -12.871 -21.413 1.00 62.04 C ATOM 577 CE3 TRP A 74 18.512 -10.505 -21.806 1.00 42.12 C ATOM 578 CZ2 TRP A 74 19.751 -12.972 -22.423 1.00 32.41 C ATOM 579 CZ3 TRP A 74 19.456 -10.608 -22.810 1.00 50.14 C ATOM 580 CH2 TRP A 74 20.064 -11.832 -23.110 1.00 64.53 C ATOM 0 H TRP A 74 15.128 -12.427 -17.643 1.00 30.51 H new ATOM 0 HA TRP A 74 17.643 -11.006 -17.631 1.00 52.22 H new ATOM 0 HB2 TRP A 74 15.333 -11.154 -19.538 1.00 63.24 H new ATOM 0 HB3 TRP A 74 16.574 -9.929 -19.706 1.00 63.24 H new ATOM 0 HD1 TRP A 74 16.797 -13.786 -19.001 1.00 70.15 H new ATOM 0 HE1 TRP A 74 18.581 -14.806 -20.561 1.00 33.10 H new ATOM 0 HE3 TRP A 74 18.048 -9.556 -21.581 1.00 42.12 H new ATOM 0 HZ2 TRP A 74 20.224 -13.915 -22.655 1.00 32.41 H new ATOM 0 HZ3 TRP A 74 19.729 -9.728 -23.373 1.00 50.14 H new ATOM 0 HH2 TRP A 74 20.797 -11.877 -23.902 1.00 64.53 H new ATOM 581 N ALA A 75 16.894 -9.279 -16.125 1.00 60.21 N ATOM 582 CA ALA A 75 16.859 -8.128 -15.273 1.00 4.25 C ATOM 583 C ALA A 75 17.542 -8.623 -14.008 1.00 34.45 C ATOM 584 O ALA A 75 16.872 -8.757 -12.959 1.00 24.01 O ATOM 585 CB ALA A 75 15.438 -7.688 -14.942 1.00 45.51 C ATOM 0 H ALA A 75 17.651 -9.902 -15.843 1.00 60.21 H new ATOM 0 HA ALA A 75 17.331 -7.264 -15.740 1.00 4.25 H new ATOM 0 HB1 ALA A 75 15.470 -6.812 -14.294 1.00 45.51 H new ATOM 0 HB2 ALA A 75 14.910 -7.439 -15.863 1.00 45.51 H new ATOM 0 HB3 ALA A 75 14.916 -8.498 -14.432 1.00 45.51 H new TER 586 ALA A 75