USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 938 hydrogens (27 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 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.0034 K(o=0.11,f=-0.98) USER MOD Set 2.2: A 10 LYS NZ :NH3+ -160:sc= 0.114 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.1!) USER MOD Single : A 11 MET CE :methyl 165:sc=-2.01e-05 (180deg=-0.186) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -19:sc= 0.192 USER MOD Single : A 17 SER OG : rot -20:sc= 0.131 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.19) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -81:sc= 0.715 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 59 GLN : amide:sc= -5.55 K(o=-5.5,f=-8.2!) USER MOD Single : A 65 CYS SG : rot -23:sc= 0.0201 USER MOD Single : A 68 GLN : amide:sc= -0.276 K(o=-0.28,f=-3.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 16:sc= 0.274 USER MOD Single : A 77 SER OG : rot 140:sc= -0.419 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 76:sc= 1.02 USER MOD Single : A 88 LYS NZ :NH3+ 139:sc= -0.815 (180deg=-4.62!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 99 THR OG1 : rot 60:sc= 0.78 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0426 USER MOD Single : A 111 SER OG : rot -81:sc= 0.617 USER MOD Single : A 112 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 7.063 11.853 5.157 1.00 44.24 N ATOM 2 CA GLY A 2 7.387 12.575 6.374 1.00 74.03 C ATOM 3 C GLY A 2 7.185 14.070 6.233 1.00 22.02 C ATOM 4 O GLY A 2 6.678 14.723 7.143 1.00 33.24 O ATOM 0 HA2 GLY A 2 6.767 12.203 7.189 1.00 74.03 H new ATOM 0 HA3 GLY A 2 8.424 12.376 6.646 1.00 74.03 H new ATOM 8 N ASN A 3 7.584 14.614 5.088 1.00 42.25 N ATOM 9 CA ASN A 3 7.446 16.043 4.832 1.00 53.35 C ATOM 10 C ASN A 3 6.006 16.498 5.048 1.00 73.52 C ATOM 11 O ASN A 3 5.758 17.595 5.546 1.00 41.02 O ATOM 12 CB ASN A 3 7.887 16.371 3.404 1.00 41.22 C ATOM 13 CG ASN A 3 9.312 16.888 3.343 1.00 75.40 C ATOM 14 OD1 ASN A 3 10.044 16.838 4.331 1.00 21.33 O ATOM 15 ND2 ASN A 3 9.711 17.386 2.178 1.00 62.11 N ATOM 0 H ASN A 3 8.005 14.087 4.323 1.00 42.25 H new ATOM 0 HA ASN A 3 8.086 16.576 5.535 1.00 53.35 H new ATOM 0 HB2 ASN A 3 7.801 15.477 2.786 1.00 41.22 H new ATOM 0 HB3 ASN A 3 7.214 17.117 2.981 1.00 41.22 H new ATOM 0 HD21 ASN A 3 10.659 17.747 2.076 1.00 62.11 H new ATOM 0 HD22 ASN A 3 9.069 17.407 1.386 1.00 62.11 H new ATOM 22 N GLY A 4 5.058 15.645 4.671 1.00 40.51 N ATOM 23 CA GLY A 4 3.655 15.977 4.832 1.00 75.42 C ATOM 24 C GLY A 4 2.777 14.746 4.946 1.00 73.45 C ATOM 25 O GLY A 4 2.625 13.995 3.983 1.00 33.22 O ATOM 0 H GLY A 4 5.237 14.730 4.257 1.00 40.51 H new ATOM 0 HA2 GLY A 4 3.530 16.592 5.723 1.00 75.42 H new ATOM 0 HA3 GLY A 4 3.327 16.576 3.983 1.00 75.42 H new ATOM 29 N GLN A 5 2.201 14.538 6.126 1.00 41.34 N ATOM 30 CA GLN A 5 1.338 13.387 6.361 1.00 31.21 C ATOM 31 C GLN A 5 0.107 13.438 5.462 1.00 35.01 C ATOM 32 O GLN A 5 -0.591 14.449 5.404 1.00 53.32 O ATOM 33 CB GLN A 5 0.909 13.337 7.829 1.00 61.51 C ATOM 34 CG GLN A 5 1.278 12.037 8.525 1.00 33.53 C ATOM 35 CD GLN A 5 1.763 12.252 9.945 1.00 65.00 C ATOM 36 OE1 GLN A 5 1.186 11.728 10.898 1.00 24.32 O ATOM 37 NE2 GLN A 5 2.831 13.028 10.095 1.00 55.41 N ATOM 0 H GLN A 5 2.316 15.151 6.933 1.00 41.34 H new ATOM 0 HA GLN A 5 1.903 12.486 6.123 1.00 31.21 H new ATOM 0 HB2 GLN A 5 1.369 14.169 8.362 1.00 61.51 H new ATOM 0 HB3 GLN A 5 -0.170 13.478 7.889 1.00 61.51 H new ATOM 0 HG2 GLN A 5 0.410 11.377 8.538 1.00 33.53 H new ATOM 0 HG3 GLN A 5 2.055 11.531 7.952 1.00 33.53 H new ATOM 0 HE21 GLN A 5 3.279 13.443 9.278 1.00 55.41 H new ATOM 0 HE22 GLN A 5 3.203 13.209 11.027 1.00 55.41 H new ATOM 46 N GLY A 6 -0.153 12.339 4.760 1.00 34.33 N ATOM 47 CA GLY A 6 -1.300 12.279 3.873 1.00 51.12 C ATOM 48 C GLY A 6 -2.553 11.797 4.576 1.00 3.21 C ATOM 49 O GLY A 6 -2.499 10.885 5.402 1.00 10.22 O ATOM 0 H GLY A 6 0.410 11.489 4.790 1.00 34.33 H new ATOM 0 HA2 GLY A 6 -1.481 13.268 3.452 1.00 51.12 H new ATOM 0 HA3 GLY A 6 -1.076 11.613 3.039 1.00 51.12 H new ATOM 53 N ARG A 7 -3.686 12.413 4.251 1.00 54.34 N ATOM 54 CA ARG A 7 -4.958 12.043 4.859 1.00 32.10 C ATOM 55 C ARG A 7 -5.244 10.557 4.663 1.00 45.42 C ATOM 56 O ARG A 7 -5.649 9.864 5.596 1.00 32.15 O ATOM 57 CB ARG A 7 -6.094 12.875 4.262 1.00 61.14 C ATOM 58 CG ARG A 7 -6.154 12.821 2.744 1.00 15.03 C ATOM 59 CD ARG A 7 -7.177 13.803 2.192 1.00 65.31 C ATOM 60 NE ARG A 7 -7.849 13.284 1.004 1.00 64.10 N ATOM 61 CZ ARG A 7 -8.661 14.010 0.243 1.00 55.03 C ATOM 62 NH1 ARG A 7 -8.900 15.279 0.545 1.00 34.40 N ATOM 63 NH2 ARG A 7 -9.235 13.466 -0.823 1.00 4.12 N ATOM 0 H ARG A 7 -3.748 13.170 3.570 1.00 54.34 H new ATOM 0 HA ARG A 7 -4.892 12.244 5.928 1.00 32.10 H new ATOM 0 HB2 ARG A 7 -7.043 12.524 4.668 1.00 61.14 H new ATOM 0 HB3 ARG A 7 -5.978 13.912 4.576 1.00 61.14 H new ATOM 0 HG2 ARG A 7 -5.171 13.048 2.332 1.00 15.03 H new ATOM 0 HG3 ARG A 7 -6.409 11.810 2.424 1.00 15.03 H new ATOM 0 HD2 ARG A 7 -7.918 14.024 2.960 1.00 65.31 H new ATOM 0 HD3 ARG A 7 -6.682 14.743 1.947 1.00 65.31 H new ATOM 0 HE ARG A 7 -7.686 12.311 0.744 1.00 64.10 H new ATOM 0 HH11 ARG A 7 -8.460 15.700 1.363 1.00 34.40 H new ATOM 0 HH12 ARG A 7 -9.524 15.834 -0.041 1.00 34.40 H new ATOM 0 HH21 ARG A 7 -9.053 12.490 -1.058 1.00 4.12 H new ATOM 0 HH22 ARG A 7 -9.858 14.024 -1.407 1.00 4.12 H new ATOM 77 N ASP A 8 -5.029 10.075 3.444 1.00 12.03 N ATOM 78 CA ASP A 8 -5.263 8.671 3.125 1.00 42.50 C ATOM 79 C ASP A 8 -4.201 7.784 3.767 1.00 61.15 C ATOM 80 O ASP A 8 -4.447 6.612 4.053 1.00 1.31 O ATOM 81 CB ASP A 8 -5.270 8.464 1.610 1.00 11.52 C ATOM 82 CG ASP A 8 -6.672 8.463 1.033 1.00 51.33 C ATOM 83 OD1 ASP A 8 -7.579 7.897 1.678 1.00 34.21 O ATOM 84 OD2 ASP A 8 -6.862 9.028 -0.065 1.00 43.14 O ATOM 0 H ASP A 8 -4.693 10.635 2.661 1.00 12.03 H new ATOM 0 HA ASP A 8 -6.237 8.390 3.526 1.00 42.50 H new ATOM 0 HB2 ASP A 8 -4.685 9.252 1.136 1.00 11.52 H new ATOM 0 HB3 ASP A 8 -4.782 7.519 1.373 1.00 11.52 H new ATOM 89 N TRP A 9 -3.020 8.350 3.989 1.00 74.43 N ATOM 90 CA TRP A 9 -1.920 7.609 4.595 1.00 63.21 C ATOM 91 C TRP A 9 -2.181 7.363 6.077 1.00 31.44 C ATOM 92 O TRP A 9 -2.311 6.219 6.514 1.00 54.32 O ATOM 93 CB TRP A 9 -0.605 8.370 4.416 1.00 25.04 C ATOM 94 CG TRP A 9 0.551 7.736 5.129 1.00 4.20 C ATOM 95 CD1 TRP A 9 1.278 8.274 6.152 1.00 60.22 C ATOM 96 CD2 TRP A 9 1.113 6.445 4.869 1.00 52.31 C ATOM 97 NE1 TRP A 9 2.259 7.394 6.543 1.00 24.04 N ATOM 98 CE2 TRP A 9 2.178 6.265 5.772 1.00 63.10 C ATOM 99 CE3 TRP A 9 0.819 5.424 3.961 1.00 63.30 C ATOM 100 CZ2 TRP A 9 2.949 5.105 5.793 1.00 3.03 C ATOM 101 CZ3 TRP A 9 1.586 4.273 3.982 1.00 2.22 C ATOM 102 CH2 TRP A 9 2.639 4.121 4.893 1.00 3.02 C ATOM 0 H TRP A 9 -2.800 9.319 3.759 1.00 74.43 H new ATOM 0 HA TRP A 9 -1.845 6.644 4.093 1.00 63.21 H new ATOM 0 HB2 TRP A 9 -0.374 8.437 3.353 1.00 25.04 H new ATOM 0 HB3 TRP A 9 -0.731 9.390 4.779 1.00 25.04 H new ATOM 0 HD1 TRP A 9 1.108 9.247 6.589 1.00 60.22 H new ATOM 0 HE1 TRP A 9 2.938 7.556 7.287 1.00 24.04 H new ATOM 0 HE3 TRP A 9 0.008 5.532 3.256 1.00 63.30 H new ATOM 0 HZ2 TRP A 9 3.762 4.986 6.494 1.00 3.03 H new ATOM 0 HZ3 TRP A 9 1.369 3.478 3.284 1.00 2.22 H new ATOM 0 HH2 TRP A 9 3.218 3.209 4.885 1.00 3.02 H new ATOM 113 N LYS A 10 -2.258 8.443 6.848 1.00 50.53 N ATOM 114 CA LYS A 10 -2.506 8.345 8.282 1.00 52.34 C ATOM 115 C LYS A 10 -3.791 7.572 8.560 1.00 54.14 C ATOM 116 O LYS A 10 -3.844 6.744 9.469 1.00 61.11 O ATOM 117 CB LYS A 10 -2.592 9.740 8.902 1.00 0.33 C ATOM 118 CG LYS A 10 -1.732 9.910 10.141 1.00 22.23 C ATOM 119 CD LYS A 10 -2.503 9.572 11.406 1.00 22.22 C ATOM 120 CE LYS A 10 -2.139 10.508 12.548 1.00 2.13 C ATOM 121 NZ LYS A 10 -0.760 10.261 13.050 1.00 62.34 N ATOM 0 H LYS A 10 -2.152 9.397 6.503 1.00 50.53 H new ATOM 0 HA LYS A 10 -1.674 7.805 8.734 1.00 52.34 H new ATOM 0 HB2 LYS A 10 -2.292 10.478 8.158 1.00 0.33 H new ATOM 0 HB3 LYS A 10 -3.630 9.951 9.159 1.00 0.33 H new ATOM 0 HG2 LYS A 10 -0.854 9.268 10.066 1.00 22.23 H new ATOM 0 HG3 LYS A 10 -1.372 10.937 10.197 1.00 22.23 H new ATOM 0 HD2 LYS A 10 -3.573 9.636 11.209 1.00 22.22 H new ATOM 0 HD3 LYS A 10 -2.293 8.543 11.697 1.00 22.22 H new ATOM 0 HE2 LYS A 10 -2.223 11.541 12.211 1.00 2.13 H new ATOM 0 HE3 LYS A 10 -2.851 10.380 13.364 1.00 2.13 H new ATOM 0 HZ1 LYS A 10 -0.664 10.654 14.008 1.00 62.34 H new ATOM 0 HZ2 LYS A 10 -0.578 9.237 13.075 1.00 62.34 H new ATOM 0 HZ3 LYS A 10 -0.073 10.719 12.418 1.00 62.34 H new ATOM 135 N MET A 11 -4.824 7.847 7.770 1.00 33.12 N ATOM 136 CA MET A 11 -6.108 7.175 7.931 1.00 54.12 C ATOM 137 C MET A 11 -5.988 5.688 7.610 1.00 1.24 C ATOM 138 O MET A 11 -6.646 4.855 8.231 1.00 42.02 O ATOM 139 CB MET A 11 -7.162 7.820 7.029 1.00 13.31 C ATOM 140 CG MET A 11 -8.575 7.325 7.294 1.00 5.42 C ATOM 141 SD MET A 11 -9.250 7.953 8.843 1.00 73.42 S ATOM 142 CE MET A 11 -9.608 9.650 8.395 1.00 51.01 C ATOM 0 H MET A 11 -4.797 8.530 7.013 1.00 33.12 H new ATOM 0 HA MET A 11 -6.417 7.280 8.971 1.00 54.12 H new ATOM 0 HB2 MET A 11 -7.133 8.901 7.166 1.00 13.31 H new ATOM 0 HB3 MET A 11 -6.906 7.624 5.988 1.00 13.31 H new ATOM 0 HG2 MET A 11 -9.222 7.627 6.471 1.00 5.42 H new ATOM 0 HG3 MET A 11 -8.576 6.235 7.317 1.00 5.42 H new ATOM 0 HE1 MET A 11 -10.265 10.093 9.143 1.00 51.01 H new ATOM 0 HE2 MET A 11 -8.679 10.217 8.347 1.00 51.01 H new ATOM 0 HE3 MET A 11 -10.099 9.674 7.422 1.00 51.01 H new ATOM 152 N ALA A 12 -5.145 5.365 6.635 1.00 44.03 N ATOM 153 CA ALA A 12 -4.938 3.979 6.233 1.00 52.03 C ATOM 154 C ALA A 12 -4.364 3.154 7.380 1.00 43.54 C ATOM 155 O ALA A 12 -4.806 2.034 7.634 1.00 11.22 O ATOM 156 CB ALA A 12 -4.020 3.913 5.021 1.00 71.21 C ATOM 0 H ALA A 12 -4.595 6.044 6.109 1.00 44.03 H new ATOM 0 HA ALA A 12 -5.906 3.556 5.965 1.00 52.03 H new ATOM 0 HB1 ALA A 12 -3.874 2.872 4.731 1.00 71.21 H new ATOM 0 HB2 ALA A 12 -4.471 4.460 4.193 1.00 71.21 H new ATOM 0 HB3 ALA A 12 -3.057 4.359 5.269 1.00 71.21 H new ATOM 162 N ILE A 13 -3.376 3.716 8.069 1.00 41.20 N ATOM 163 CA ILE A 13 -2.741 3.032 9.190 1.00 13.34 C ATOM 164 C ILE A 13 -3.729 2.817 10.331 1.00 71.54 C ATOM 165 O ILE A 13 -3.854 1.711 10.859 1.00 53.12 O ATOM 166 CB ILE A 13 -1.528 3.820 9.717 1.00 4.25 C ATOM 167 CG1 ILE A 13 -0.494 4.010 8.606 1.00 32.10 C ATOM 168 CG2 ILE A 13 -0.909 3.105 10.908 1.00 1.11 C ATOM 169 CD1 ILE A 13 0.118 2.714 8.122 1.00 15.30 C ATOM 0 H ILE A 13 -2.998 4.642 7.871 1.00 41.20 H new ATOM 0 HA ILE A 13 -2.401 2.065 8.819 1.00 13.34 H new ATOM 0 HB ILE A 13 -1.866 4.803 10.044 1.00 4.25 H new ATOM 0 HG12 ILE A 13 -0.966 4.516 7.764 1.00 32.10 H new ATOM 0 HG13 ILE A 13 0.299 4.664 8.967 1.00 32.10 H new ATOM 0 HG21 ILE A 13 -0.053 3.674 11.269 1.00 1.11 H new ATOM 0 HG22 ILE A 13 -1.648 3.017 11.704 1.00 1.11 H new ATOM 0 HG23 ILE A 13 -0.582 2.110 10.605 1.00 1.11 H new ATOM 0 HD11 ILE A 13 0.842 2.925 7.335 1.00 15.30 H new ATOM 0 HD12 ILE A 13 0.619 2.216 8.952 1.00 15.30 H new ATOM 0 HD13 ILE A 13 -0.666 2.066 7.730 1.00 15.30 H new ATOM 181 N LYS A 14 -4.430 3.880 10.710 1.00 54.53 N ATOM 182 CA LYS A 14 -5.410 3.808 11.786 1.00 23.30 C ATOM 183 C LYS A 14 -6.523 2.823 11.445 1.00 32.14 C ATOM 184 O LYS A 14 -6.868 1.958 12.251 1.00 52.00 O ATOM 185 CB LYS A 14 -6.004 5.192 12.057 1.00 21.01 C ATOM 186 CG LYS A 14 -6.775 5.278 13.362 1.00 3.34 C ATOM 187 CD LYS A 14 -5.897 5.780 14.497 1.00 42.50 C ATOM 188 CE LYS A 14 -6.121 7.261 14.762 1.00 35.31 C ATOM 189 NZ LYS A 14 -4.929 7.898 15.388 1.00 31.24 N ATOM 0 H LYS A 14 -4.337 4.803 10.287 1.00 54.53 H new ATOM 0 HA LYS A 14 -4.901 3.456 12.683 1.00 23.30 H new ATOM 0 HB2 LYS A 14 -5.199 5.927 12.071 1.00 21.01 H new ATOM 0 HB3 LYS A 14 -6.667 5.461 11.235 1.00 21.01 H new ATOM 0 HG2 LYS A 14 -7.628 5.945 13.238 1.00 3.34 H new ATOM 0 HG3 LYS A 14 -7.173 4.296 13.616 1.00 3.34 H new ATOM 0 HD2 LYS A 14 -6.110 5.211 15.402 1.00 42.50 H new ATOM 0 HD3 LYS A 14 -4.849 5.608 14.251 1.00 42.50 H new ATOM 0 HE2 LYS A 14 -6.353 7.767 13.825 1.00 35.31 H new ATOM 0 HE3 LYS A 14 -6.985 7.387 15.415 1.00 35.31 H new ATOM 0 HZ1 LYS A 14 -5.121 8.907 15.553 1.00 31.24 H new ATOM 0 HZ2 LYS A 14 -4.722 7.432 16.295 1.00 31.24 H new ATOM 0 HZ3 LYS A 14 -4.110 7.800 14.754 1.00 31.24 H new ATOM 203 N ARG A 15 -7.081 2.959 10.246 1.00 62.21 N ATOM 204 CA ARG A 15 -8.155 2.081 9.799 1.00 61.25 C ATOM 205 C ARG A 15 -7.673 0.636 9.707 1.00 1.15 C ATOM 206 O ARG A 15 -8.264 -0.265 10.302 1.00 31.25 O ATOM 207 CB ARG A 15 -8.685 2.541 8.439 1.00 33.51 C ATOM 208 CG ARG A 15 -10.026 1.928 8.071 1.00 15.30 C ATOM 209 CD ARG A 15 -11.171 2.892 8.340 1.00 1.40 C ATOM 210 NE ARG A 15 -11.079 3.495 9.667 1.00 14.03 N ATOM 211 CZ ARG A 15 -11.447 2.874 10.782 1.00 4.03 C ATOM 212 NH1 ARG A 15 -11.928 1.641 10.731 1.00 61.51 N ATOM 213 NH2 ARG A 15 -11.333 3.490 11.953 1.00 62.23 N ATOM 0 H ARG A 15 -6.807 3.669 9.567 1.00 62.21 H new ATOM 0 HA ARG A 15 -8.961 2.131 10.531 1.00 61.25 H new ATOM 0 HB2 ARG A 15 -8.780 3.627 8.444 1.00 33.51 H new ATOM 0 HB3 ARG A 15 -7.956 2.288 7.669 1.00 33.51 H new ATOM 0 HG2 ARG A 15 -10.023 1.650 7.017 1.00 15.30 H new ATOM 0 HG3 ARG A 15 -10.178 1.012 8.642 1.00 15.30 H new ATOM 0 HD2 ARG A 15 -11.169 3.677 7.584 1.00 1.40 H new ATOM 0 HD3 ARG A 15 -12.120 2.363 8.247 1.00 1.40 H new ATOM 0 HE ARG A 15 -10.712 4.444 9.742 1.00 14.03 H new ATOM 0 HH11 ARG A 15 -12.017 1.165 9.833 1.00 61.51 H new ATOM 0 HH12 ARG A 15 -12.209 1.167 11.589 1.00 61.51 H new ATOM 0 HH21 ARG A 15 -10.963 4.440 11.996 1.00 62.23 H new ATOM 0 HH22 ARG A 15 -11.615 3.014 12.810 1.00 62.23 H new ATOM 227 N CYS A 16 -6.597 0.423 8.957 1.00 24.53 N ATOM 228 CA CYS A 16 -6.036 -0.912 8.787 1.00 53.32 C ATOM 229 C CYS A 16 -5.740 -1.555 10.138 1.00 43.21 C ATOM 230 O CYS A 16 -5.744 -2.779 10.269 1.00 25.22 O ATOM 231 CB CYS A 16 -4.759 -0.848 7.948 1.00 12.02 C ATOM 232 SG CYS A 16 -3.896 -2.430 7.796 1.00 45.32 S ATOM 0 H CYS A 16 -6.096 1.158 8.457 1.00 24.53 H new ATOM 0 HA CYS A 16 -6.773 -1.525 8.268 1.00 53.32 H new ATOM 0 HB2 CYS A 16 -5.010 -0.486 6.951 1.00 12.02 H new ATOM 0 HB3 CYS A 16 -4.082 -0.118 8.391 1.00 12.02 H new ATOM 0 HG CYS A 16 -4.288 -3.231 8.742 1.00 45.32 H new ATOM 238 N SER A 17 -5.481 -0.720 11.140 1.00 61.41 N ATOM 239 CA SER A 17 -5.176 -1.206 12.480 1.00 35.34 C ATOM 240 C SER A 17 -6.299 -2.098 13.003 1.00 24.15 C ATOM 241 O SER A 17 -6.077 -2.962 13.849 1.00 74.32 O ATOM 242 CB SER A 17 -4.956 -0.031 13.435 1.00 31.21 C ATOM 243 OG SER A 17 -3.745 -0.180 14.155 1.00 24.12 O ATOM 0 H SER A 17 -5.476 0.296 11.049 1.00 61.41 H new ATOM 0 HA SER A 17 -4.261 -1.796 12.426 1.00 35.34 H new ATOM 0 HB2 SER A 17 -4.935 0.901 12.871 1.00 31.21 H new ATOM 0 HB3 SER A 17 -5.791 0.037 14.132 1.00 31.21 H new ATOM 0 HG SER A 17 -3.470 -1.120 14.141 1.00 24.12 H new ATOM 249 N ASN A 18 -7.507 -1.877 12.493 1.00 20.42 N ATOM 250 CA ASN A 18 -8.666 -2.658 12.908 1.00 73.22 C ATOM 251 C ASN A 18 -8.640 -4.047 12.277 1.00 72.14 C ATOM 252 O ASN A 18 -9.233 -4.990 12.801 1.00 15.32 O ATOM 253 CB ASN A 18 -9.958 -1.935 12.525 1.00 13.11 C ATOM 254 CG ASN A 18 -10.904 -1.779 13.700 1.00 13.12 C ATOM 255 OD1 ASN A 18 -11.743 -2.644 13.954 1.00 12.34 O ATOM 256 ND2 ASN A 18 -10.773 -0.673 14.422 1.00 64.43 N ATOM 0 H ASN A 18 -7.708 -1.164 11.792 1.00 20.42 H new ATOM 0 HA ASN A 18 -8.629 -2.770 13.992 1.00 73.22 H new ATOM 0 HB2 ASN A 18 -9.715 -0.951 12.125 1.00 13.11 H new ATOM 0 HB3 ASN A 18 -10.459 -2.488 11.730 1.00 13.11 H new ATOM 0 HD21 ASN A 18 -11.382 -0.513 15.225 1.00 64.43 H new ATOM 0 HD22 ASN A 18 -10.063 0.017 14.174 1.00 64.43 H new ATOM 263 N VAL A 19 -7.948 -4.165 11.148 1.00 34.43 N ATOM 264 CA VAL A 19 -7.843 -5.440 10.446 1.00 5.43 C ATOM 265 C VAL A 19 -7.391 -6.550 11.387 1.00 73.10 C ATOM 266 O VAL A 19 -6.315 -6.476 11.980 1.00 10.44 O ATOM 267 CB VAL A 19 -6.857 -5.349 9.266 1.00 10.23 C ATOM 268 CG1 VAL A 19 -6.737 -6.694 8.567 1.00 73.10 C ATOM 269 CG2 VAL A 19 -7.296 -4.269 8.288 1.00 41.33 C ATOM 0 H VAL A 19 -7.452 -3.394 10.700 1.00 34.43 H new ATOM 0 HA VAL A 19 -8.836 -5.675 10.064 1.00 5.43 H new ATOM 0 HB VAL A 19 -5.875 -5.079 9.655 1.00 10.23 H new ATOM 0 HG11 VAL A 19 -6.036 -6.611 7.736 1.00 73.10 H new ATOM 0 HG12 VAL A 19 -6.375 -7.440 9.274 1.00 73.10 H new ATOM 0 HG13 VAL A 19 -7.714 -6.996 8.189 1.00 73.10 H new ATOM 0 HG21 VAL A 19 -6.588 -4.218 7.460 1.00 41.33 H new ATOM 0 HG22 VAL A 19 -8.288 -4.508 7.903 1.00 41.33 H new ATOM 0 HG23 VAL A 19 -7.327 -3.307 8.799 1.00 41.33 H new ATOM 279 N ALA A 20 -8.221 -7.580 11.519 1.00 62.20 N ATOM 280 CA ALA A 20 -7.905 -8.708 12.386 1.00 53.11 C ATOM 281 C ALA A 20 -7.001 -9.710 11.676 1.00 65.41 C ATOM 282 O ALA A 20 -7.477 -10.642 11.029 1.00 13.34 O ATOM 283 CB ALA A 20 -9.184 -9.388 12.853 1.00 62.31 C ATOM 0 H ALA A 20 -9.117 -7.656 11.037 1.00 62.20 H new ATOM 0 HA ALA A 20 -7.369 -8.327 13.256 1.00 53.11 H new ATOM 0 HB1 ALA A 20 -8.934 -10.229 13.500 1.00 62.31 H new ATOM 0 HB2 ALA A 20 -9.795 -8.674 13.406 1.00 62.31 H new ATOM 0 HB3 ALA A 20 -9.741 -9.749 11.988 1.00 62.31 H new ATOM 289 N VAL A 21 -5.692 -9.512 11.802 1.00 73.30 N ATOM 290 CA VAL A 21 -4.721 -10.398 11.173 1.00 63.31 C ATOM 291 C VAL A 21 -4.928 -11.843 11.615 1.00 41.45 C ATOM 292 O VAL A 21 -4.557 -12.779 10.907 1.00 65.21 O ATOM 293 CB VAL A 21 -3.277 -9.974 11.504 1.00 12.15 C ATOM 294 CG1 VAL A 21 -2.283 -10.776 10.679 1.00 51.44 C ATOM 295 CG2 VAL A 21 -3.095 -8.482 11.272 1.00 55.23 C ATOM 0 H VAL A 21 -5.280 -8.745 12.334 1.00 73.30 H new ATOM 0 HA VAL A 21 -4.876 -10.324 10.097 1.00 63.31 H new ATOM 0 HB VAL A 21 -3.088 -10.181 12.557 1.00 12.15 H new ATOM 0 HG11 VAL A 21 -1.269 -10.463 10.926 1.00 51.44 H new ATOM 0 HG12 VAL A 21 -2.399 -11.837 10.900 1.00 51.44 H new ATOM 0 HG13 VAL A 21 -2.468 -10.604 9.619 1.00 51.44 H new ATOM 0 HG21 VAL A 21 -2.070 -8.199 11.510 1.00 55.23 H new ATOM 0 HG22 VAL A 21 -3.302 -8.248 10.228 1.00 55.23 H new ATOM 0 HG23 VAL A 21 -3.782 -7.928 11.911 1.00 55.23 H new ATOM 305 N GLY A 22 -5.525 -12.017 12.790 1.00 4.31 N ATOM 306 CA GLY A 22 -5.772 -13.351 13.306 1.00 4.20 C ATOM 307 C GLY A 22 -7.245 -13.708 13.308 1.00 4.34 C ATOM 308 O GLY A 22 -7.927 -13.555 14.322 1.00 43.34 O ATOM 0 H GLY A 22 -5.842 -11.258 13.394 1.00 4.31 H new ATOM 0 HA2 GLY A 22 -5.226 -14.077 12.704 1.00 4.20 H new ATOM 0 HA3 GLY A 22 -5.383 -13.422 14.322 1.00 4.20 H new ATOM 312 N VAL A 23 -7.739 -14.183 12.170 1.00 75.05 N ATOM 313 CA VAL A 23 -9.141 -14.563 12.044 1.00 62.14 C ATOM 314 C VAL A 23 -9.555 -15.514 13.161 1.00 1.21 C ATOM 315 O VAL A 23 -10.712 -15.530 13.579 1.00 24.52 O ATOM 316 CB VAL A 23 -9.421 -15.232 10.685 1.00 1.02 C ATOM 317 CG1 VAL A 23 -8.615 -16.514 10.544 1.00 74.44 C ATOM 318 CG2 VAL A 23 -10.908 -15.507 10.524 1.00 33.33 C ATOM 0 H VAL A 23 -7.189 -14.314 11.321 1.00 75.05 H new ATOM 0 HA VAL A 23 -9.725 -13.646 12.116 1.00 62.14 H new ATOM 0 HB VAL A 23 -9.113 -14.549 9.893 1.00 1.02 H new ATOM 0 HG11 VAL A 23 -8.826 -16.972 9.578 1.00 74.44 H new ATOM 0 HG12 VAL A 23 -7.552 -16.285 10.612 1.00 74.44 H new ATOM 0 HG13 VAL A 23 -8.889 -17.205 11.341 1.00 74.44 H new ATOM 0 HG21 VAL A 23 -11.088 -15.980 9.559 1.00 33.33 H new ATOM 0 HG22 VAL A 23 -11.244 -16.170 11.321 1.00 33.33 H new ATOM 0 HG23 VAL A 23 -11.459 -14.568 10.577 1.00 33.33 H new ATOM 328 N GLY A 24 -8.602 -16.305 13.641 1.00 70.24 N ATOM 329 CA GLY A 24 -8.886 -17.249 14.707 1.00 10.35 C ATOM 330 C GLY A 24 -7.903 -17.142 15.855 1.00 2.35 C ATOM 331 O GLY A 24 -6.726 -16.851 15.649 1.00 41.34 O ATOM 0 H GLY A 24 -7.637 -16.310 13.311 1.00 70.24 H new ATOM 0 HA2 GLY A 24 -9.896 -17.077 15.080 1.00 10.35 H new ATOM 0 HA3 GLY A 24 -8.862 -18.262 14.306 1.00 10.35 H new ATOM 335 N GLY A 25 -8.388 -17.374 17.072 1.00 33.13 N ATOM 336 CA GLY A 25 -7.531 -17.294 18.240 1.00 54.42 C ATOM 337 C GLY A 25 -7.876 -16.120 19.135 1.00 54.32 C ATOM 338 O GLY A 25 -8.389 -16.302 20.239 1.00 41.00 O ATOM 0 H GLY A 25 -9.359 -17.616 17.269 1.00 33.13 H new ATOM 0 HA2 GLY A 25 -7.614 -18.219 18.811 1.00 54.42 H new ATOM 0 HA3 GLY A 25 -6.493 -17.209 17.919 1.00 54.42 H new ATOM 342 N LYS A 26 -7.595 -14.912 18.658 1.00 61.25 N ATOM 343 CA LYS A 26 -7.878 -13.704 19.421 1.00 4.20 C ATOM 344 C LYS A 26 -8.328 -12.572 18.502 1.00 41.31 C ATOM 345 O LYS A 26 -9.509 -12.229 18.458 1.00 4.45 O ATOM 346 CB LYS A 26 -6.639 -13.271 20.210 1.00 35.12 C ATOM 347 CG LYS A 26 -6.618 -13.788 21.638 1.00 21.21 C ATOM 348 CD LYS A 26 -7.739 -13.184 22.467 1.00 13.30 C ATOM 349 CE LYS A 26 -7.219 -12.112 23.412 1.00 13.24 C ATOM 350 NZ LYS A 26 -7.077 -10.795 22.731 1.00 32.14 N ATOM 0 H LYS A 26 -7.171 -14.744 17.746 1.00 61.25 H new ATOM 0 HA LYS A 26 -8.686 -13.927 20.118 1.00 4.20 H new ATOM 0 HB2 LYS A 26 -5.747 -13.623 19.692 1.00 35.12 H new ATOM 0 HB3 LYS A 26 -6.590 -12.182 20.226 1.00 35.12 H new ATOM 0 HG2 LYS A 26 -6.712 -14.874 21.634 1.00 21.21 H new ATOM 0 HG3 LYS A 26 -5.658 -13.553 22.097 1.00 21.21 H new ATOM 0 HD2 LYS A 26 -8.491 -12.754 21.805 1.00 13.30 H new ATOM 0 HD3 LYS A 26 -8.232 -13.969 23.041 1.00 13.30 H new ATOM 0 HE2 LYS A 26 -7.899 -12.012 24.258 1.00 13.24 H new ATOM 0 HE3 LYS A 26 -6.254 -12.419 23.814 1.00 13.24 H new ATOM 0 HZ1 LYS A 26 -6.720 -10.091 23.408 1.00 32.14 H new ATOM 0 HZ2 LYS A 26 -6.408 -10.884 21.939 1.00 32.14 H new ATOM 0 HZ3 LYS A 26 -8.003 -10.489 22.369 1.00 32.14 H new ATOM 364 N SER A 27 -7.379 -11.999 17.768 1.00 72.31 N ATOM 365 CA SER A 27 -7.678 -10.906 16.852 1.00 5.43 C ATOM 366 C SER A 27 -6.430 -10.489 16.078 1.00 51.21 C ATOM 367 O SER A 27 -6.436 -10.438 14.848 1.00 24.12 O ATOM 368 CB SER A 27 -8.239 -9.707 17.619 1.00 63.51 C ATOM 369 OG SER A 27 -7.442 -9.408 18.752 1.00 0.23 O ATOM 0 H SER A 27 -6.397 -12.274 17.790 1.00 72.31 H new ATOM 0 HA SER A 27 -8.427 -11.256 16.141 1.00 5.43 H new ATOM 0 HB2 SER A 27 -8.282 -8.839 16.962 1.00 63.51 H new ATOM 0 HB3 SER A 27 -9.261 -9.919 17.935 1.00 63.51 H new ATOM 0 HG SER A 27 -7.821 -8.637 19.224 1.00 0.23 H new ATOM 375 N LYS A 28 -5.361 -10.191 16.808 1.00 64.32 N ATOM 376 CA LYS A 28 -4.104 -9.780 16.194 1.00 13.52 C ATOM 377 C LYS A 28 -4.327 -8.627 15.220 1.00 71.14 C ATOM 378 O LYS A 28 -4.212 -8.796 14.005 1.00 61.12 O ATOM 379 CB LYS A 28 -3.459 -10.961 15.465 1.00 41.43 C ATOM 380 CG LYS A 28 -2.628 -11.854 16.370 1.00 53.22 C ATOM 381 CD LYS A 28 -2.571 -13.279 15.846 1.00 62.33 C ATOM 382 CE LYS A 28 -1.430 -13.465 14.859 1.00 42.53 C ATOM 383 NZ LYS A 28 -0.318 -14.268 15.439 1.00 1.23 N ATOM 0 H LYS A 28 -5.340 -10.226 17.827 1.00 64.32 H new ATOM 0 HA LYS A 28 -3.435 -9.440 16.985 1.00 13.52 H new ATOM 0 HB2 LYS A 28 -4.241 -11.559 14.997 1.00 41.43 H new ATOM 0 HB3 LYS A 28 -2.826 -10.580 14.663 1.00 41.43 H new ATOM 0 HG2 LYS A 28 -1.617 -11.454 16.449 1.00 53.22 H new ATOM 0 HG3 LYS A 28 -3.052 -11.851 17.374 1.00 53.22 H new ATOM 0 HD2 LYS A 28 -2.448 -13.970 16.680 1.00 62.33 H new ATOM 0 HD3 LYS A 28 -3.516 -13.528 15.363 1.00 62.33 H new ATOM 0 HE2 LYS A 28 -1.803 -13.958 13.961 1.00 42.53 H new ATOM 0 HE3 LYS A 28 -1.052 -12.489 14.553 1.00 42.53 H new ATOM 0 HZ1 LYS A 28 0.440 -14.372 14.734 1.00 1.23 H new ATOM 0 HZ2 LYS A 28 0.056 -13.786 16.281 1.00 1.23 H new ATOM 0 HZ3 LYS A 28 -0.672 -15.208 15.707 1.00 1.23 H new ATOM 397 N LYS A 29 -4.643 -7.455 15.759 1.00 74.04 N ATOM 398 CA LYS A 29 -4.879 -6.274 14.939 1.00 61.24 C ATOM 399 C LYS A 29 -3.581 -5.784 14.306 1.00 43.44 C ATOM 400 O LYS A 29 -2.522 -5.815 14.932 1.00 73.24 O ATOM 401 CB LYS A 29 -5.501 -5.158 15.782 1.00 61.33 C ATOM 402 CG LYS A 29 -7.008 -5.050 15.631 1.00 71.40 C ATOM 403 CD LYS A 29 -7.732 -5.967 16.602 1.00 35.42 C ATOM 404 CE LYS A 29 -8.491 -5.176 17.656 1.00 33.40 C ATOM 405 NZ LYS A 29 -9.885 -4.874 17.226 1.00 1.41 N ATOM 0 H LYS A 29 -4.742 -7.298 16.762 1.00 74.04 H new ATOM 0 HA LYS A 29 -5.571 -6.548 14.142 1.00 61.24 H new ATOM 0 HB2 LYS A 29 -5.261 -5.330 16.831 1.00 61.33 H new ATOM 0 HB3 LYS A 29 -5.047 -4.207 15.503 1.00 61.33 H new ATOM 0 HG2 LYS A 29 -7.319 -4.019 15.802 1.00 71.40 H new ATOM 0 HG3 LYS A 29 -7.291 -5.303 14.609 1.00 71.40 H new ATOM 0 HD2 LYS A 29 -8.426 -6.604 16.054 1.00 35.42 H new ATOM 0 HD3 LYS A 29 -7.012 -6.625 17.088 1.00 35.42 H new ATOM 0 HE2 LYS A 29 -8.513 -5.741 18.588 1.00 33.40 H new ATOM 0 HE3 LYS A 29 -7.964 -4.244 17.860 1.00 33.40 H new ATOM 0 HZ1 LYS A 29 -10.369 -4.334 17.971 1.00 1.41 H new ATOM 0 HZ2 LYS A 29 -9.864 -4.313 16.350 1.00 1.41 H new ATOM 0 HZ3 LYS A 29 -10.396 -5.764 17.056 1.00 1.41 H new ATOM 419 N PHE A 30 -3.670 -5.328 13.060 1.00 75.50 N ATOM 420 CA PHE A 30 -2.503 -4.831 12.343 1.00 51.43 C ATOM 421 C PHE A 30 -1.982 -3.545 12.976 1.00 22.01 C ATOM 422 O PHE A 30 -2.510 -3.078 13.985 1.00 72.30 O ATOM 423 CB PHE A 30 -2.848 -4.584 10.872 1.00 50.24 C ATOM 424 CG PHE A 30 -2.144 -5.515 9.927 1.00 54.32 C ATOM 425 CD1 PHE A 30 -2.861 -6.248 8.993 1.00 45.32 C ATOM 426 CD2 PHE A 30 -0.767 -5.659 9.972 1.00 12.31 C ATOM 427 CE1 PHE A 30 -2.217 -7.105 8.122 1.00 43.24 C ATOM 428 CE2 PHE A 30 -0.118 -6.514 9.102 1.00 63.14 C ATOM 429 CZ PHE A 30 -0.843 -7.239 8.177 1.00 42.25 C ATOM 0 H PHE A 30 -4.539 -5.293 12.527 1.00 75.50 H new ATOM 0 HA PHE A 30 -1.721 -5.588 12.404 1.00 51.43 H new ATOM 0 HB2 PHE A 30 -3.925 -4.688 10.737 1.00 50.24 H new ATOM 0 HB3 PHE A 30 -2.592 -3.556 10.615 1.00 50.24 H new ATOM 0 HD1 PHE A 30 -3.935 -6.148 8.946 1.00 45.32 H new ATOM 0 HD2 PHE A 30 -0.195 -5.097 10.695 1.00 12.31 H new ATOM 0 HE1 PHE A 30 -2.787 -7.670 7.399 1.00 43.24 H new ATOM 0 HE2 PHE A 30 0.956 -6.615 9.145 1.00 63.14 H new ATOM 0 HZ PHE A 30 -0.337 -7.909 7.498 1.00 42.25 H new ATOM 439 N GLY A 31 -0.940 -2.976 12.377 1.00 52.21 N ATOM 440 CA GLY A 31 -0.364 -1.750 12.897 1.00 3.32 C ATOM 441 C GLY A 31 0.533 -1.057 11.889 1.00 72.03 C ATOM 442 O GLY A 31 0.547 -1.418 10.713 1.00 22.12 O ATOM 0 H GLY A 31 -0.485 -3.342 11.541 1.00 52.21 H new ATOM 0 HA2 GLY A 31 -1.165 -1.072 13.192 1.00 3.32 H new ATOM 0 HA3 GLY A 31 0.210 -1.975 13.796 1.00 3.32 H new ATOM 446 N GLU A 32 1.280 -0.061 12.351 1.00 63.24 N ATOM 447 CA GLU A 32 2.182 0.684 11.480 1.00 2.01 C ATOM 448 C GLU A 32 3.478 -0.088 11.250 1.00 40.21 C ATOM 449 O GLU A 32 3.918 -0.258 10.113 1.00 32.34 O ATOM 450 CB GLU A 32 2.494 2.056 12.085 1.00 35.11 C ATOM 451 CG GLU A 32 3.374 2.924 11.202 1.00 24.12 C ATOM 452 CD GLU A 32 4.306 3.813 12.001 1.00 25.04 C ATOM 453 OE1 GLU A 32 5.448 4.035 11.548 1.00 61.24 O ATOM 454 OE2 GLU A 32 3.893 4.288 13.080 1.00 23.14 O ATOM 0 H GLU A 32 1.279 0.249 13.323 1.00 63.24 H new ATOM 0 HA GLU A 32 1.686 0.822 10.519 1.00 2.01 H new ATOM 0 HB2 GLU A 32 1.558 2.580 12.278 1.00 35.11 H new ATOM 0 HB3 GLU A 32 2.985 1.916 13.048 1.00 35.11 H new ATOM 0 HG2 GLU A 32 3.963 2.286 10.543 1.00 24.12 H new ATOM 0 HG3 GLU A 32 2.744 3.544 10.565 1.00 24.12 H new ATOM 461 N GLY A 33 4.085 -0.553 12.338 1.00 53.23 N ATOM 462 CA GLY A 33 5.324 -1.301 12.233 1.00 0.51 C ATOM 463 C GLY A 33 5.182 -2.542 11.373 1.00 42.01 C ATOM 464 O GLY A 33 6.022 -2.811 10.516 1.00 12.35 O ATOM 0 H GLY A 33 3.741 -0.425 13.290 1.00 53.23 H new ATOM 0 HA2 GLY A 33 6.098 -0.659 11.813 1.00 0.51 H new ATOM 0 HA3 GLY A 33 5.656 -1.590 13.230 1.00 0.51 H new ATOM 468 N ASN A 34 4.116 -3.301 11.604 1.00 31.53 N ATOM 469 CA ASN A 34 3.868 -4.521 10.846 1.00 15.05 C ATOM 470 C ASN A 34 3.737 -4.219 9.357 1.00 53.32 C ATOM 471 O ASN A 34 4.395 -4.846 8.525 1.00 5.44 O ATOM 472 CB ASN A 34 2.598 -5.211 11.351 1.00 60.11 C ATOM 473 CG ASN A 34 2.594 -5.385 12.858 1.00 45.30 C ATOM 474 OD1 ASN A 34 1.728 -4.852 13.553 1.00 73.14 O ATOM 475 ND2 ASN A 34 3.567 -6.130 13.369 1.00 74.42 N ATOM 0 H ASN A 34 3.410 -3.092 12.310 1.00 31.53 H new ATOM 0 HA ASN A 34 4.718 -5.188 10.990 1.00 15.05 H new ATOM 0 HB2 ASN A 34 1.727 -4.627 11.053 1.00 60.11 H new ATOM 0 HB3 ASN A 34 2.504 -6.187 10.875 1.00 60.11 H new ATOM 0 HD21 ASN A 34 3.619 -6.280 14.377 1.00 74.42 H new ATOM 0 HD22 ASN A 34 4.263 -6.552 12.754 1.00 74.42 H new ATOM 482 N PHE A 35 2.884 -3.255 9.027 1.00 52.24 N ATOM 483 CA PHE A 35 2.666 -2.869 7.637 1.00 64.23 C ATOM 484 C PHE A 35 3.992 -2.573 6.941 1.00 34.33 C ATOM 485 O PHE A 35 4.193 -2.940 5.783 1.00 12.33 O ATOM 486 CB PHE A 35 1.753 -1.644 7.562 1.00 33.40 C ATOM 487 CG PHE A 35 1.536 -1.142 6.164 1.00 45.41 C ATOM 488 CD1 PHE A 35 1.135 -2.006 5.157 1.00 20.14 C ATOM 489 CD2 PHE A 35 1.735 0.194 5.854 1.00 23.30 C ATOM 490 CE1 PHE A 35 0.934 -1.547 3.869 1.00 50.02 C ATOM 491 CE2 PHE A 35 1.536 0.659 4.568 1.00 33.03 C ATOM 492 CZ PHE A 35 1.137 -0.213 3.574 1.00 14.24 C ATOM 0 H PHE A 35 2.332 -2.727 9.703 1.00 52.24 H new ATOM 0 HA PHE A 35 2.185 -3.703 7.126 1.00 64.23 H new ATOM 0 HB2 PHE A 35 0.788 -1.893 8.004 1.00 33.40 H new ATOM 0 HB3 PHE A 35 2.183 -0.843 8.164 1.00 33.40 H new ATOM 0 HD1 PHE A 35 0.978 -3.051 5.382 1.00 20.14 H new ATOM 0 HD2 PHE A 35 2.049 0.880 6.627 1.00 23.30 H new ATOM 0 HE1 PHE A 35 0.619 -2.230 3.094 1.00 50.02 H new ATOM 0 HE2 PHE A 35 1.692 1.703 4.340 1.00 33.03 H new ATOM 0 HZ PHE A 35 0.984 0.148 2.568 1.00 14.24 H new ATOM 502 N ARG A 36 4.893 -1.906 7.656 1.00 13.32 N ATOM 503 CA ARG A 36 6.197 -1.557 7.107 1.00 75.42 C ATOM 504 C ARG A 36 7.002 -2.813 6.780 1.00 13.11 C ATOM 505 O ARG A 36 7.600 -2.916 5.709 1.00 54.32 O ATOM 506 CB ARG A 36 6.974 -0.685 8.096 1.00 15.44 C ATOM 507 CG ARG A 36 6.213 0.552 8.542 1.00 1.42 C ATOM 508 CD ARG A 36 6.969 1.826 8.197 1.00 53.12 C ATOM 509 NE ARG A 36 7.744 2.325 9.329 1.00 1.23 N ATOM 510 CZ ARG A 36 8.368 3.498 9.332 1.00 63.52 C ATOM 511 NH1 ARG A 36 8.308 4.288 8.269 1.00 55.34 N ATOM 512 NH2 ARG A 36 9.055 3.884 10.401 1.00 14.21 N ATOM 0 H ARG A 36 4.743 -1.597 8.616 1.00 13.32 H new ATOM 0 HA ARG A 36 6.038 -0.997 6.186 1.00 75.42 H new ATOM 0 HB2 ARG A 36 7.228 -1.281 8.972 1.00 15.44 H new ATOM 0 HB3 ARG A 36 7.914 -0.378 7.637 1.00 15.44 H new ATOM 0 HG2 ARG A 36 5.233 0.569 8.065 1.00 1.42 H new ATOM 0 HG3 ARG A 36 6.044 0.508 9.618 1.00 1.42 H new ATOM 0 HD2 ARG A 36 7.636 1.635 7.357 1.00 53.12 H new ATOM 0 HD3 ARG A 36 6.262 2.591 7.876 1.00 53.12 H new ATOM 0 HE ARG A 36 7.810 1.741 10.163 1.00 1.23 H new ATOM 0 HH11 ARG A 36 7.782 3.996 7.446 1.00 55.34 H new ATOM 0 HH12 ARG A 36 8.788 5.188 8.275 1.00 55.34 H new ATOM 0 HH21 ARG A 36 9.104 3.280 11.221 1.00 14.21 H new ATOM 0 HH22 ARG A 36 9.534 4.785 10.402 1.00 14.21 H new ATOM 526 N TRP A 37 7.011 -3.761 7.710 1.00 51.44 N ATOM 527 CA TRP A 37 7.743 -5.009 7.520 1.00 14.33 C ATOM 528 C TRP A 37 7.279 -5.726 6.256 1.00 4.12 C ATOM 529 O TRP A 37 8.075 -6.355 5.560 1.00 24.22 O ATOM 530 CB TRP A 37 7.560 -5.921 8.734 1.00 34.21 C ATOM 531 CG TRP A 37 8.087 -7.308 8.520 1.00 5.31 C ATOM 532 CD1 TRP A 37 9.297 -7.796 8.922 1.00 3.12 C ATOM 533 CD2 TRP A 37 7.420 -8.384 7.852 1.00 30.01 C ATOM 534 NE1 TRP A 37 9.423 -9.111 8.543 1.00 5.52 N ATOM 535 CE2 TRP A 37 8.284 -9.496 7.886 1.00 44.55 C ATOM 536 CE3 TRP A 37 6.175 -8.518 7.230 1.00 50.54 C ATOM 537 CZ2 TRP A 37 7.944 -10.721 7.321 1.00 54.41 C ATOM 538 CZ3 TRP A 37 5.839 -9.735 6.669 1.00 63.12 C ATOM 539 CH2 TRP A 37 6.720 -10.823 6.718 1.00 35.52 C ATOM 0 H TRP A 37 6.521 -3.690 8.602 1.00 51.44 H new ATOM 0 HA TRP A 37 8.800 -4.768 7.411 1.00 14.33 H new ATOM 0 HB2 TRP A 37 8.064 -5.477 9.592 1.00 34.21 H new ATOM 0 HB3 TRP A 37 6.500 -5.977 8.981 1.00 34.21 H new ATOM 0 HD1 TRP A 37 10.045 -7.232 9.459 1.00 3.12 H new ATOM 0 HE1 TRP A 37 10.233 -9.704 8.722 1.00 5.52 H new ATOM 0 HE3 TRP A 37 5.488 -7.685 7.189 1.00 50.54 H new ATOM 0 HZ2 TRP A 37 8.622 -11.561 7.357 1.00 54.41 H new ATOM 0 HZ3 TRP A 37 4.881 -9.850 6.184 1.00 63.12 H new ATOM 0 HH2 TRP A 37 6.427 -11.761 6.271 1.00 35.52 H new ATOM 550 N ALA A 38 5.986 -5.625 5.966 1.00 52.41 N ATOM 551 CA ALA A 38 5.417 -6.262 4.784 1.00 63.03 C ATOM 552 C ALA A 38 5.890 -5.574 3.508 1.00 43.23 C ATOM 553 O ALA A 38 6.492 -6.204 2.637 1.00 71.21 O ATOM 554 CB ALA A 38 3.897 -6.253 4.859 1.00 64.04 C ATOM 0 H ALA A 38 5.313 -5.109 6.533 1.00 52.41 H new ATOM 0 HA ALA A 38 5.762 -7.296 4.757 1.00 63.03 H new ATOM 0 HB1 ALA A 38 3.486 -6.732 3.970 1.00 64.04 H new ATOM 0 HB2 ALA A 38 3.573 -6.797 5.746 1.00 64.04 H new ATOM 0 HB3 ALA A 38 3.542 -5.224 4.914 1.00 64.04 H new ATOM 560 N ILE A 39 5.614 -4.279 3.403 1.00 12.51 N ATOM 561 CA ILE A 39 6.012 -3.506 2.233 1.00 11.32 C ATOM 562 C ILE A 39 7.521 -3.560 2.025 1.00 23.32 C ATOM 563 O ILE A 39 8.000 -3.654 0.895 1.00 64.22 O ATOM 564 CB ILE A 39 5.574 -2.033 2.355 1.00 74.35 C ATOM 565 CG1 ILE A 39 6.047 -1.236 1.138 1.00 13.21 C ATOM 566 CG2 ILE A 39 6.118 -1.424 3.638 1.00 64.15 C ATOM 567 CD1 ILE A 39 5.645 0.222 1.178 1.00 33.04 C ATOM 0 H ILE A 39 5.116 -3.743 4.114 1.00 12.51 H new ATOM 0 HA ILE A 39 5.513 -3.955 1.374 1.00 11.32 H new ATOM 0 HB ILE A 39 4.485 -1.994 2.391 1.00 74.35 H new ATOM 0 HG12 ILE A 39 7.133 -1.304 1.069 1.00 13.21 H new ATOM 0 HG13 ILE A 39 5.641 -1.692 0.235 1.00 13.21 H new ATOM 0 HG21 ILE A 39 5.800 -0.384 3.710 1.00 64.15 H new ATOM 0 HG22 ILE A 39 5.737 -1.980 4.495 1.00 64.15 H new ATOM 0 HG23 ILE A 39 7.207 -1.471 3.630 1.00 64.15 H new ATOM 0 HD11 ILE A 39 6.014 0.726 0.284 1.00 33.04 H new ATOM 0 HD12 ILE A 39 4.558 0.299 1.216 1.00 33.04 H new ATOM 0 HD13 ILE A 39 6.073 0.693 2.063 1.00 33.04 H new ATOM 579 N ARG A 40 8.267 -3.502 3.125 1.00 55.34 N ATOM 580 CA ARG A 40 9.723 -3.546 3.063 1.00 24.23 C ATOM 581 C ARG A 40 10.201 -4.838 2.406 1.00 23.41 C ATOM 582 O ARG A 40 11.008 -4.811 1.477 1.00 71.41 O ATOM 583 CB ARG A 40 10.317 -3.425 4.467 1.00 44.21 C ATOM 584 CG ARG A 40 11.831 -3.565 4.502 1.00 35.42 C ATOM 585 CD ARG A 40 12.457 -2.594 5.490 1.00 65.14 C ATOM 586 NE ARG A 40 13.877 -2.381 5.222 1.00 1.22 N ATOM 587 CZ ARG A 40 14.565 -1.342 5.685 1.00 75.13 C ATOM 588 NH1 ARG A 40 13.966 -0.427 6.434 1.00 73.41 N ATOM 589 NH2 ARG A 40 15.854 -1.218 5.398 1.00 34.11 N ATOM 0 H ARG A 40 7.887 -3.425 4.068 1.00 55.34 H new ATOM 0 HA ARG A 40 10.062 -2.705 2.458 1.00 24.23 H new ATOM 0 HB2 ARG A 40 10.040 -2.458 4.887 1.00 44.21 H new ATOM 0 HB3 ARG A 40 9.875 -4.189 5.106 1.00 44.21 H new ATOM 0 HG2 ARG A 40 12.097 -4.586 4.775 1.00 35.42 H new ATOM 0 HG3 ARG A 40 12.237 -3.386 3.507 1.00 35.42 H new ATOM 0 HD2 ARG A 40 11.932 -1.640 5.443 1.00 65.14 H new ATOM 0 HD3 ARG A 40 12.333 -2.977 6.503 1.00 65.14 H new ATOM 0 HE ARG A 40 14.368 -3.067 4.648 1.00 1.22 H new ATOM 0 HH11 ARG A 40 12.975 -0.519 6.656 1.00 73.41 H new ATOM 0 HH12 ARG A 40 14.496 0.369 6.788 1.00 73.41 H new ATOM 0 HH21 ARG A 40 16.318 -1.920 4.822 1.00 34.11 H new ATOM 0 HH22 ARG A 40 16.381 -0.421 5.754 1.00 34.11 H new ATOM 603 N MET A 41 9.698 -5.966 2.896 1.00 11.42 N ATOM 604 CA MET A 41 10.073 -7.268 2.356 1.00 0.12 C ATOM 605 C MET A 41 9.524 -7.449 0.944 1.00 61.33 C ATOM 606 O MET A 41 10.196 -8.003 0.074 1.00 53.42 O ATOM 607 CB MET A 41 9.560 -8.387 3.262 1.00 72.54 C ATOM 608 CG MET A 41 10.392 -9.657 3.192 1.00 65.24 C ATOM 609 SD MET A 41 9.517 -11.099 3.828 1.00 64.41 S ATOM 610 CE MET A 41 10.796 -12.348 3.716 1.00 13.14 C ATOM 0 H MET A 41 9.030 -6.005 3.666 1.00 11.42 H new ATOM 0 HA MET A 41 11.161 -7.316 2.313 1.00 0.12 H new ATOM 0 HB2 MET A 41 9.543 -8.030 4.292 1.00 72.54 H new ATOM 0 HB3 MET A 41 8.531 -8.621 2.989 1.00 72.54 H new ATOM 0 HG2 MET A 41 10.681 -9.840 2.157 1.00 65.24 H new ATOM 0 HG3 MET A 41 11.312 -9.516 3.760 1.00 65.24 H new ATOM 0 HE1 MET A 41 10.407 -13.301 4.075 1.00 13.14 H new ATOM 0 HE2 MET A 41 11.112 -12.453 2.678 1.00 13.14 H new ATOM 0 HE3 MET A 41 11.649 -12.051 4.327 1.00 13.14 H new ATOM 620 N ALA A 42 8.301 -6.979 0.724 1.00 23.42 N ATOM 621 CA ALA A 42 7.664 -7.088 -0.583 1.00 61.42 C ATOM 622 C ALA A 42 8.463 -6.345 -1.647 1.00 1.35 C ATOM 623 O ALA A 42 8.652 -6.843 -2.755 1.00 51.44 O ATOM 624 CB ALA A 42 6.240 -6.556 -0.522 1.00 22.45 C ATOM 0 H ALA A 42 7.731 -6.519 1.434 1.00 23.42 H new ATOM 0 HA ALA A 42 7.635 -8.142 -0.859 1.00 61.42 H new ATOM 0 HB1 ALA A 42 5.776 -6.644 -1.505 1.00 22.45 H new ATOM 0 HB2 ALA A 42 5.666 -7.134 0.203 1.00 22.45 H new ATOM 0 HB3 ALA A 42 6.255 -5.509 -0.220 1.00 22.45 H new ATOM 630 N ASN A 43 8.929 -5.148 -1.302 1.00 71.24 N ATOM 631 CA ASN A 43 9.707 -4.335 -2.230 1.00 42.11 C ATOM 632 C ASN A 43 11.026 -5.019 -2.579 1.00 20.10 C ATOM 633 O ASN A 43 11.323 -5.258 -3.750 1.00 72.20 O ATOM 634 CB ASN A 43 9.980 -2.956 -1.626 1.00 24.23 C ATOM 635 CG ASN A 43 9.303 -1.842 -2.401 1.00 24.14 C ATOM 636 OD1 ASN A 43 8.310 -2.067 -3.092 1.00 13.33 O ATOM 637 ND2 ASN A 43 9.839 -0.632 -2.287 1.00 54.43 N ATOM 0 H ASN A 43 8.781 -4.720 -0.388 1.00 71.24 H new ATOM 0 HA ASN A 43 9.126 -4.216 -3.145 1.00 42.11 H new ATOM 0 HB2 ASN A 43 9.633 -2.939 -0.593 1.00 24.23 H new ATOM 0 HB3 ASN A 43 11.055 -2.778 -1.604 1.00 24.23 H new ATOM 0 HD21 ASN A 43 9.427 0.157 -2.784 1.00 54.43 H new ATOM 0 HD22 ASN A 43 10.663 -0.492 -1.702 1.00 54.43 H new ATOM 644 N VAL A 44 11.813 -5.332 -1.554 1.00 41.24 N ATOM 645 CA VAL A 44 13.099 -5.990 -1.752 1.00 51.35 C ATOM 646 C VAL A 44 12.929 -7.327 -2.465 1.00 33.35 C ATOM 647 O VAL A 44 13.727 -7.688 -3.329 1.00 52.52 O ATOM 648 CB VAL A 44 13.822 -6.224 -0.413 1.00 60.14 C ATOM 649 CG1 VAL A 44 15.159 -6.913 -0.640 1.00 24.43 C ATOM 650 CG2 VAL A 44 14.010 -4.908 0.327 1.00 63.35 C ATOM 0 H VAL A 44 11.583 -5.141 -0.579 1.00 41.24 H new ATOM 0 HA VAL A 44 13.702 -5.325 -2.371 1.00 51.35 H new ATOM 0 HB VAL A 44 13.205 -6.877 0.204 1.00 60.14 H new ATOM 0 HG11 VAL A 44 15.655 -7.070 0.318 1.00 24.43 H new ATOM 0 HG12 VAL A 44 14.995 -7.875 -1.125 1.00 24.43 H new ATOM 0 HG13 VAL A 44 15.787 -6.289 -1.276 1.00 24.43 H new ATOM 0 HG21 VAL A 44 14.523 -5.092 1.271 1.00 63.35 H new ATOM 0 HG22 VAL A 44 14.606 -4.229 -0.283 1.00 63.35 H new ATOM 0 HG23 VAL A 44 13.036 -4.459 0.524 1.00 63.35 H new ATOM 660 N SER A 45 11.881 -8.059 -2.096 1.00 50.15 N ATOM 661 CA SER A 45 11.607 -9.359 -2.698 1.00 63.21 C ATOM 662 C SER A 45 11.238 -9.208 -4.170 1.00 14.04 C ATOM 663 O SER A 45 11.416 -10.132 -4.965 1.00 12.30 O ATOM 664 CB SER A 45 10.477 -10.063 -1.946 1.00 35.32 C ATOM 665 OG SER A 45 10.267 -11.372 -2.449 1.00 64.14 O ATOM 0 H SER A 45 11.209 -7.774 -1.384 1.00 50.15 H new ATOM 0 HA SER A 45 12.512 -9.963 -2.629 1.00 63.21 H new ATOM 0 HB2 SER A 45 10.718 -10.112 -0.884 1.00 35.32 H new ATOM 0 HB3 SER A 45 9.559 -9.483 -2.038 1.00 35.32 H new ATOM 0 HG SER A 45 9.541 -11.801 -1.951 1.00 64.14 H new ATOM 671 N THR A 46 10.720 -8.037 -4.527 1.00 52.42 N ATOM 672 CA THR A 46 10.323 -7.764 -5.902 1.00 54.33 C ATOM 673 C THR A 46 11.429 -7.042 -6.661 1.00 45.15 C ATOM 674 O THR A 46 11.183 -6.415 -7.692 1.00 32.30 O ATOM 675 CB THR A 46 9.038 -6.917 -5.960 1.00 25.10 C ATOM 676 OG1 THR A 46 9.154 -5.792 -5.080 1.00 43.41 O ATOM 677 CG2 THR A 46 7.824 -7.747 -5.572 1.00 1.00 C ATOM 0 H THR A 46 10.566 -7.262 -3.882 1.00 52.42 H new ATOM 0 HA THR A 46 10.134 -8.729 -6.372 1.00 54.33 H new ATOM 0 HB THR A 46 8.906 -6.566 -6.984 1.00 25.10 H new ATOM 0 HG1 THR A 46 8.949 -6.071 -4.163 1.00 43.41 H new ATOM 0 HG21 THR A 46 6.929 -7.127 -5.620 1.00 1.00 H new ATOM 0 HG22 THR A 46 7.722 -8.586 -6.260 1.00 1.00 H new ATOM 0 HG23 THR A 46 7.950 -8.123 -4.557 1.00 1.00 H new ATOM 685 N GLY A 47 12.652 -7.133 -6.145 1.00 41.30 N ATOM 686 CA GLY A 47 13.779 -6.482 -6.787 1.00 54.53 C ATOM 687 C GLY A 47 13.520 -5.015 -7.065 1.00 44.23 C ATOM 688 O GLY A 47 14.078 -4.446 -8.004 1.00 43.30 O ATOM 0 H GLY A 47 12.882 -7.646 -5.294 1.00 41.30 H new ATOM 0 HA2 GLY A 47 14.660 -6.578 -6.152 1.00 54.53 H new ATOM 0 HA3 GLY A 47 14.004 -6.992 -7.724 1.00 54.53 H new ATOM 692 N ARG A 48 12.671 -4.400 -6.248 1.00 12.30 N ATOM 693 CA ARG A 48 12.338 -2.991 -6.413 1.00 24.24 C ATOM 694 C ARG A 48 13.218 -2.116 -5.524 1.00 72.32 C ATOM 695 O ARG A 48 13.424 -2.419 -4.349 1.00 2.23 O ATOM 696 CB ARG A 48 10.863 -2.750 -6.080 1.00 75.24 C ATOM 697 CG ARG A 48 10.348 -1.397 -6.540 1.00 34.44 C ATOM 698 CD ARG A 48 8.892 -1.473 -6.972 1.00 13.24 C ATOM 699 NE ARG A 48 8.725 -1.169 -8.390 1.00 12.31 N ATOM 700 CZ ARG A 48 7.549 -1.175 -9.011 1.00 64.42 C ATOM 701 NH1 ARG A 48 6.444 -1.467 -8.339 1.00 44.04 N ATOM 702 NH2 ARG A 48 7.479 -0.887 -10.304 1.00 33.52 N ATOM 0 H ARG A 48 12.202 -4.856 -5.465 1.00 12.30 H new ATOM 0 HA ARG A 48 12.518 -2.722 -7.454 1.00 24.24 H new ATOM 0 HB2 ARG A 48 10.262 -3.534 -6.541 1.00 75.24 H new ATOM 0 HB3 ARG A 48 10.724 -2.835 -5.002 1.00 75.24 H new ATOM 0 HG2 ARG A 48 10.452 -0.673 -5.732 1.00 34.44 H new ATOM 0 HG3 ARG A 48 10.957 -1.038 -7.370 1.00 34.44 H new ATOM 0 HD2 ARG A 48 8.505 -2.471 -6.767 1.00 13.24 H new ATOM 0 HD3 ARG A 48 8.301 -0.774 -6.380 1.00 13.24 H new ATOM 0 HE ARG A 48 9.556 -0.939 -8.935 1.00 12.31 H new ATOM 0 HH11 ARG A 48 6.495 -1.687 -7.344 1.00 44.04 H new ATOM 0 HH12 ARG A 48 5.543 -1.471 -8.817 1.00 44.04 H new ATOM 0 HH21 ARG A 48 8.328 -0.661 -10.823 1.00 33.52 H new ATOM 0 HH22 ARG A 48 6.577 -0.892 -10.779 1.00 33.52 H new ATOM 716 N GLU A 49 13.735 -1.032 -6.095 1.00 32.24 N ATOM 717 CA GLU A 49 14.594 -0.116 -5.354 1.00 50.05 C ATOM 718 C GLU A 49 13.931 0.318 -4.050 1.00 72.23 C ATOM 719 O GLU A 49 12.716 0.214 -3.877 1.00 73.13 O ATOM 720 CB GLU A 49 14.922 1.112 -6.207 1.00 1.05 C ATOM 721 CG GLU A 49 16.258 1.017 -6.924 1.00 31.45 C ATOM 722 CD GLU A 49 16.318 1.891 -8.161 1.00 44.20 C ATOM 723 OE1 GLU A 49 15.655 1.549 -9.162 1.00 54.02 O ATOM 724 OE2 GLU A 49 17.030 2.917 -8.128 1.00 51.55 O ATOM 0 H GLU A 49 13.574 -0.767 -7.067 1.00 32.24 H new ATOM 0 HA GLU A 49 15.519 -0.640 -5.113 1.00 50.05 H new ATOM 0 HB2 GLU A 49 14.132 1.252 -6.945 1.00 1.05 H new ATOM 0 HB3 GLU A 49 14.923 1.996 -5.570 1.00 1.05 H new ATOM 0 HG2 GLU A 49 17.055 1.307 -6.239 1.00 31.45 H new ATOM 0 HG3 GLU A 49 16.442 -0.020 -7.207 1.00 31.45 H new ATOM 731 N PRO A 50 14.747 0.817 -3.110 1.00 10.12 N ATOM 732 CA PRO A 50 14.262 1.276 -1.805 1.00 45.14 C ATOM 733 C PRO A 50 13.440 2.557 -1.910 1.00 43.13 C ATOM 734 O PRO A 50 12.601 2.838 -1.056 1.00 30.14 O ATOM 735 CB PRO A 50 15.550 1.531 -1.018 1.00 60.01 C ATOM 736 CG PRO A 50 16.581 1.809 -2.057 1.00 15.13 C ATOM 737 CD PRO A 50 16.204 0.970 -3.248 1.00 42.03 C ATOM 0 HA PRO A 50 13.597 0.549 -1.338 1.00 45.14 H new ATOM 0 HB2 PRO A 50 15.437 2.374 -0.337 1.00 60.01 H new ATOM 0 HB3 PRO A 50 15.822 0.666 -0.412 1.00 60.01 H new ATOM 0 HG2 PRO A 50 16.599 2.868 -2.315 1.00 15.13 H new ATOM 0 HG3 PRO A 50 17.577 1.551 -1.697 1.00 15.13 H new ATOM 0 HD2 PRO A 50 16.470 1.460 -4.185 1.00 42.03 H new ATOM 0 HD3 PRO A 50 16.712 0.006 -3.237 1.00 42.03 H new ATOM 745 N GLY A 51 13.689 3.329 -2.963 1.00 2.13 N ATOM 746 CA GLY A 51 12.963 4.571 -3.160 1.00 54.12 C ATOM 747 C GLY A 51 11.668 4.370 -3.922 1.00 11.30 C ATOM 748 O GLY A 51 11.391 5.083 -4.886 1.00 14.24 O ATOM 0 H GLY A 51 14.380 3.117 -3.683 1.00 2.13 H new ATOM 0 HA2 GLY A 51 12.745 5.019 -2.190 1.00 54.12 H new ATOM 0 HA3 GLY A 51 13.594 5.275 -3.702 1.00 54.12 H new ATOM 752 N ASP A 52 10.874 3.396 -3.490 1.00 33.11 N ATOM 753 CA ASP A 52 9.601 3.103 -4.139 1.00 14.45 C ATOM 754 C ASP A 52 8.477 3.009 -3.112 1.00 53.11 C ATOM 755 O ASP A 52 8.234 1.946 -2.539 1.00 63.10 O ATOM 756 CB ASP A 52 9.696 1.799 -4.931 1.00 60.23 C ATOM 757 CG ASP A 52 10.074 2.027 -6.381 1.00 42.50 C ATOM 758 OD1 ASP A 52 9.319 2.727 -7.088 1.00 31.14 O ATOM 759 OD2 ASP A 52 11.126 1.508 -6.809 1.00 21.53 O ATOM 0 H ASP A 52 11.089 2.796 -2.694 1.00 33.11 H new ATOM 0 HA ASP A 52 9.375 3.919 -4.825 1.00 14.45 H new ATOM 0 HB2 ASP A 52 10.435 1.147 -4.464 1.00 60.23 H new ATOM 0 HB3 ASP A 52 8.739 1.280 -4.886 1.00 60.23 H new ATOM 764 N ILE A 53 7.794 4.126 -2.884 1.00 41.05 N ATOM 765 CA ILE A 53 6.697 4.168 -1.926 1.00 13.55 C ATOM 766 C ILE A 53 5.412 4.661 -2.585 1.00 32.51 C ATOM 767 O ILE A 53 4.915 5.749 -2.295 1.00 34.20 O ATOM 768 CB ILE A 53 7.029 5.079 -0.730 1.00 13.35 C ATOM 769 CG1 ILE A 53 8.407 4.731 -0.163 1.00 2.12 C ATOM 770 CG2 ILE A 53 5.960 4.952 0.345 1.00 42.01 C ATOM 771 CD1 ILE A 53 8.844 5.643 0.963 1.00 62.42 C ATOM 0 H ILE A 53 7.981 5.014 -3.350 1.00 41.05 H new ATOM 0 HA ILE A 53 6.552 3.149 -1.567 1.00 13.55 H new ATOM 0 HB ILE A 53 7.049 6.113 -1.074 1.00 13.35 H new ATOM 0 HG12 ILE A 53 8.394 3.702 0.197 1.00 2.12 H new ATOM 0 HG13 ILE A 53 9.144 4.778 -0.965 1.00 2.12 H new ATOM 0 HG21 ILE A 53 6.209 5.602 1.184 1.00 42.01 H new ATOM 0 HG22 ILE A 53 4.994 5.244 -0.066 1.00 42.01 H new ATOM 0 HG23 ILE A 53 5.911 3.919 0.689 1.00 42.01 H new ATOM 0 HD11 ILE A 53 9.829 5.338 1.317 1.00 62.42 H new ATOM 0 HD12 ILE A 53 8.890 6.670 0.602 1.00 62.42 H new ATOM 0 HD13 ILE A 53 8.128 5.578 1.783 1.00 62.42 H new ATOM 783 N PRO A 54 4.860 3.840 -3.491 1.00 43.31 N ATOM 784 CA PRO A 54 3.624 4.170 -4.207 1.00 53.12 C ATOM 785 C PRO A 54 2.401 4.146 -3.296 1.00 61.13 C ATOM 786 O PRO A 54 2.528 4.041 -2.077 1.00 22.12 O ATOM 787 CB PRO A 54 3.523 3.068 -5.266 1.00 43.05 C ATOM 788 CG PRO A 54 4.286 1.923 -4.694 1.00 33.14 C ATOM 789 CD PRO A 54 5.399 2.528 -3.885 1.00 51.25 C ATOM 0 HA PRO A 54 3.650 5.178 -4.621 1.00 53.12 H new ATOM 0 HB2 PRO A 54 2.485 2.796 -5.457 1.00 43.05 H new ATOM 0 HB3 PRO A 54 3.948 3.392 -6.216 1.00 43.05 H new ATOM 0 HG2 PRO A 54 3.645 1.300 -4.070 1.00 33.14 H new ATOM 0 HG3 PRO A 54 4.681 1.284 -5.484 1.00 33.14 H new ATOM 0 HD2 PRO A 54 5.643 1.916 -3.016 1.00 51.25 H new ATOM 0 HD3 PRO A 54 6.313 2.628 -4.471 1.00 51.25 H new ATOM 797 N GLU A 55 1.220 4.242 -3.897 1.00 2.14 N ATOM 798 CA GLU A 55 -0.025 4.232 -3.137 1.00 72.25 C ATOM 799 C GLU A 55 -1.232 4.246 -4.071 1.00 20.42 C ATOM 800 O GLU A 55 -1.949 5.244 -4.163 1.00 75.31 O ATOM 801 CB GLU A 55 -0.082 5.435 -2.193 1.00 13.51 C ATOM 802 CG GLU A 55 -0.949 5.204 -0.966 1.00 23.22 C ATOM 803 CD GLU A 55 -2.416 5.486 -1.226 1.00 73.44 C ATOM 804 OE1 GLU A 55 -2.713 6.448 -1.965 1.00 65.21 O ATOM 805 OE2 GLU A 55 -3.267 4.745 -0.692 1.00 1.10 O ATOM 0 H GLU A 55 1.098 4.327 -4.906 1.00 2.14 H new ATOM 0 HA GLU A 55 -0.054 3.316 -2.547 1.00 72.25 H new ATOM 0 HB2 GLU A 55 0.930 5.682 -1.872 1.00 13.51 H new ATOM 0 HB3 GLU A 55 -0.463 6.298 -2.740 1.00 13.51 H new ATOM 0 HG2 GLU A 55 -0.835 4.172 -0.634 1.00 23.22 H new ATOM 0 HG3 GLU A 55 -0.599 5.841 -0.153 1.00 23.22 H new ATOM 812 N THR A 56 -1.451 3.133 -4.763 1.00 12.20 N ATOM 813 CA THR A 56 -2.569 3.017 -5.691 1.00 52.53 C ATOM 814 C THR A 56 -3.084 1.583 -5.755 1.00 24.50 C ATOM 815 O THR A 56 -2.318 0.630 -5.605 1.00 50.13 O ATOM 816 CB THR A 56 -2.172 3.471 -7.108 1.00 51.43 C ATOM 817 OG1 THR A 56 -1.250 2.537 -7.682 1.00 60.25 O ATOM 818 CG2 THR A 56 -1.544 4.857 -7.077 1.00 34.11 C ATOM 0 H THR A 56 -0.868 2.298 -4.698 1.00 12.20 H new ATOM 0 HA THR A 56 -3.359 3.668 -5.317 1.00 52.53 H new ATOM 0 HB THR A 56 -3.074 3.512 -7.718 1.00 51.43 H new ATOM 0 HG1 THR A 56 -1.004 2.832 -8.584 1.00 60.25 H new ATOM 0 HG21 THR A 56 -1.272 5.156 -8.089 1.00 34.11 H new ATOM 0 HG22 THR A 56 -2.258 5.571 -6.667 1.00 34.11 H new ATOM 0 HG23 THR A 56 -0.651 4.838 -6.452 1.00 34.11 H new ATOM 826 N LEU A 57 -4.385 1.437 -5.978 1.00 64.21 N ATOM 827 CA LEU A 57 -5.003 0.118 -6.063 1.00 21.43 C ATOM 828 C LEU A 57 -4.380 -0.704 -7.186 1.00 71.30 C ATOM 829 O LEU A 57 -4.290 -1.929 -7.095 1.00 53.55 O ATOM 830 CB LEU A 57 -6.510 0.253 -6.289 1.00 63.22 C ATOM 831 CG LEU A 57 -7.383 -0.829 -5.653 1.00 30.35 C ATOM 832 CD1 LEU A 57 -7.062 -2.192 -6.246 1.00 24.53 C ATOM 833 CD2 LEU A 57 -7.198 -0.845 -4.142 1.00 71.02 C ATOM 0 H LEU A 57 -5.033 2.215 -6.103 1.00 64.21 H new ATOM 0 HA LEU A 57 -4.828 -0.400 -5.120 1.00 21.43 H new ATOM 0 HB2 LEU A 57 -6.829 1.222 -5.905 1.00 63.22 H new ATOM 0 HB3 LEU A 57 -6.697 0.258 -7.363 1.00 63.22 H new ATOM 0 HG LEU A 57 -8.426 -0.599 -5.868 1.00 30.35 H new ATOM 0 HD11 LEU A 57 -7.693 -2.949 -5.781 1.00 24.53 H new ATOM 0 HD12 LEU A 57 -7.248 -2.174 -7.320 1.00 24.53 H new ATOM 0 HD13 LEU A 57 -6.014 -2.431 -6.063 1.00 24.53 H new ATOM 0 HD21 LEU A 57 -7.827 -1.621 -3.707 1.00 71.02 H new ATOM 0 HD22 LEU A 57 -6.154 -1.049 -3.905 1.00 71.02 H new ATOM 0 HD23 LEU A 57 -7.480 0.124 -3.731 1.00 71.02 H new ATOM 845 N ASP A 58 -3.950 -0.023 -8.241 1.00 51.24 N ATOM 846 CA ASP A 58 -3.331 -0.691 -9.382 1.00 21.02 C ATOM 847 C ASP A 58 -1.937 -1.196 -9.025 1.00 64.31 C ATOM 848 O ASP A 58 -1.588 -2.339 -9.316 1.00 22.10 O ATOM 849 CB ASP A 58 -3.252 0.262 -10.576 1.00 12.03 C ATOM 850 CG ASP A 58 -4.612 0.534 -11.190 1.00 64.31 C ATOM 851 OD1 ASP A 58 -5.560 0.822 -10.429 1.00 3.33 O ATOM 852 OD2 ASP A 58 -4.727 0.461 -12.431 1.00 20.43 O ATOM 0 H ASP A 58 -4.018 0.991 -8.331 1.00 51.24 H new ATOM 0 HA ASP A 58 -3.950 -1.547 -9.651 1.00 21.02 H new ATOM 0 HB2 ASP A 58 -2.806 1.204 -10.257 1.00 12.03 H new ATOM 0 HB3 ASP A 58 -2.593 -0.163 -11.333 1.00 12.03 H new ATOM 857 N GLN A 59 -1.144 -0.334 -8.395 1.00 75.24 N ATOM 858 CA GLN A 59 0.212 -0.694 -8.000 1.00 44.51 C ATOM 859 C GLN A 59 0.202 -1.852 -7.009 1.00 64.24 C ATOM 860 O GLN A 59 0.854 -2.875 -7.226 1.00 44.13 O ATOM 861 CB GLN A 59 0.924 0.513 -7.386 1.00 4.51 C ATOM 862 CG GLN A 59 2.132 0.142 -6.541 1.00 1.02 C ATOM 863 CD GLN A 59 1.792 -0.007 -5.071 1.00 13.03 C ATOM 864 OE1 GLN A 59 2.125 -1.013 -4.444 1.00 24.23 O ATOM 865 NE2 GLN A 59 1.124 0.996 -4.514 1.00 23.33 N ATOM 0 H GLN A 59 -1.417 0.617 -8.148 1.00 75.24 H new ATOM 0 HA GLN A 59 0.751 -1.010 -8.893 1.00 44.51 H new ATOM 0 HB2 GLN A 59 1.242 1.182 -8.186 1.00 4.51 H new ATOM 0 HB3 GLN A 59 0.216 1.067 -6.769 1.00 4.51 H new ATOM 0 HG2 GLN A 59 2.555 -0.793 -6.909 1.00 1.02 H new ATOM 0 HG3 GLN A 59 2.900 0.907 -6.657 1.00 1.02 H new ATOM 0 HE21 GLN A 59 0.869 1.811 -5.072 1.00 23.33 H new ATOM 0 HE22 GLN A 59 0.866 0.952 -3.528 1.00 23.33 H new ATOM 874 N LEU A 60 -0.540 -1.685 -5.919 1.00 52.33 N ATOM 875 CA LEU A 60 -0.634 -2.718 -4.893 1.00 1.13 C ATOM 876 C LEU A 60 -1.081 -4.046 -5.496 1.00 41.21 C ATOM 877 O LEU A 60 -0.524 -5.099 -5.185 1.00 43.14 O ATOM 878 CB LEU A 60 -1.611 -2.288 -3.798 1.00 0.44 C ATOM 879 CG LEU A 60 -1.129 -1.174 -2.866 1.00 53.54 C ATOM 880 CD1 LEU A 60 -2.226 -0.144 -2.653 1.00 1.01 C ATOM 881 CD2 LEU A 60 -0.671 -1.754 -1.536 1.00 32.20 C ATOM 0 H LEU A 60 -1.085 -0.845 -5.723 1.00 52.33 H new ATOM 0 HA LEU A 60 0.356 -2.853 -4.457 1.00 1.13 H new ATOM 0 HB2 LEU A 60 -2.537 -1.962 -4.273 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -1.854 -3.161 -3.192 1.00 0.44 H new ATOM 0 HG LEU A 60 -0.280 -0.676 -3.334 1.00 53.54 H new ATOM 0 HD11 LEU A 60 -1.865 0.640 -1.988 1.00 1.01 H new ATOM 0 HD12 LEU A 60 -2.505 0.294 -3.611 1.00 1.01 H new ATOM 0 HD13 LEU A 60 -3.096 -0.626 -2.207 1.00 1.01 H new ATOM 0 HD21 LEU A 60 -0.331 -0.948 -0.885 1.00 32.20 H new ATOM 0 HD22 LEU A 60 -1.501 -2.278 -1.062 1.00 32.20 H new ATOM 0 HD23 LEU A 60 0.148 -2.452 -1.706 1.00 32.20 H new ATOM 893 N ARG A 61 -2.088 -3.989 -6.361 1.00 23.23 N ATOM 894 CA ARG A 61 -2.609 -5.186 -7.008 1.00 22.42 C ATOM 895 C ARG A 61 -1.509 -5.910 -7.778 1.00 53.13 C ATOM 896 O ARG A 61 -1.356 -7.127 -7.668 1.00 34.11 O ATOM 897 CB ARG A 61 -3.755 -4.823 -7.954 1.00 51.34 C ATOM 898 CG ARG A 61 -4.203 -5.976 -8.837 1.00 75.10 C ATOM 899 CD ARG A 61 -3.510 -5.944 -10.190 1.00 1.22 C ATOM 900 NE ARG A 61 -4.353 -6.492 -11.251 1.00 20.50 N ATOM 901 CZ ARG A 61 -5.418 -5.867 -11.740 1.00 23.43 C ATOM 902 NH1 ARG A 61 -5.769 -4.679 -11.267 1.00 44.12 N ATOM 903 NH2 ARG A 61 -6.134 -6.430 -12.703 1.00 51.43 N ATOM 0 H ARG A 61 -2.560 -3.125 -6.630 1.00 23.23 H new ATOM 0 HA ARG A 61 -2.985 -5.853 -6.232 1.00 22.42 H new ATOM 0 HB2 ARG A 61 -4.604 -4.475 -7.366 1.00 51.34 H new ATOM 0 HB3 ARG A 61 -3.444 -3.992 -8.586 1.00 51.34 H new ATOM 0 HG2 ARG A 61 -3.988 -6.922 -8.339 1.00 75.10 H new ATOM 0 HG3 ARG A 61 -5.283 -5.929 -8.979 1.00 75.10 H new ATOM 0 HD2 ARG A 61 -3.241 -4.917 -10.435 1.00 1.22 H new ATOM 0 HD3 ARG A 61 -2.581 -6.512 -10.135 1.00 1.22 H new ATOM 0 HE ARG A 61 -4.110 -7.404 -11.637 1.00 20.50 H new ATOM 0 HH11 ARG A 61 -5.221 -4.243 -10.526 1.00 44.12 H new ATOM 0 HH12 ARG A 61 -6.587 -4.201 -11.644 1.00 44.12 H new ATOM 0 HH21 ARG A 61 -5.867 -7.344 -13.069 1.00 51.43 H new ATOM 0 HH22 ARG A 61 -6.952 -5.949 -13.078 1.00 51.43 H new ATOM 917 N LEU A 62 -0.743 -5.154 -8.557 1.00 15.14 N ATOM 918 CA LEU A 62 0.343 -5.723 -9.347 1.00 64.35 C ATOM 919 C LEU A 62 1.423 -6.311 -8.444 1.00 31.45 C ATOM 920 O LEU A 62 1.981 -7.369 -8.734 1.00 41.54 O ATOM 921 CB LEU A 62 0.952 -4.655 -10.257 1.00 14.21 C ATOM 922 CG LEU A 62 0.272 -4.464 -11.614 1.00 40.01 C ATOM 923 CD1 LEU A 62 0.319 -3.003 -12.033 1.00 14.44 C ATOM 924 CD2 LEU A 62 0.928 -5.344 -12.668 1.00 51.05 C ATOM 0 H LEU A 62 -0.854 -4.145 -8.658 1.00 15.14 H new ATOM 0 HA LEU A 62 -0.069 -6.524 -9.961 1.00 64.35 H new ATOM 0 HB2 LEU A 62 0.936 -3.702 -9.727 1.00 14.21 H new ATOM 0 HB3 LEU A 62 1.999 -4.906 -10.429 1.00 14.21 H new ATOM 0 HG LEU A 62 -0.773 -4.761 -11.520 1.00 40.01 H new ATOM 0 HD11 LEU A 62 -0.169 -2.886 -13.000 1.00 14.44 H new ATOM 0 HD12 LEU A 62 -0.197 -2.395 -11.290 1.00 14.44 H new ATOM 0 HD13 LEU A 62 1.357 -2.680 -12.109 1.00 14.44 H new ATOM 0 HD21 LEU A 62 0.431 -5.195 -13.627 1.00 51.05 H new ATOM 0 HD22 LEU A 62 1.981 -5.078 -12.760 1.00 51.05 H new ATOM 0 HD23 LEU A 62 0.842 -6.390 -12.374 1.00 51.05 H new ATOM 936 N VAL A 63 1.708 -5.620 -7.345 1.00 63.02 N ATOM 937 CA VAL A 63 2.718 -6.076 -6.396 1.00 2.40 C ATOM 938 C VAL A 63 2.413 -7.487 -5.905 1.00 42.43 C ATOM 939 O VAL A 63 3.300 -8.338 -5.845 1.00 61.44 O ATOM 940 CB VAL A 63 2.815 -5.131 -5.184 1.00 65.15 C ATOM 941 CG1 VAL A 63 3.850 -5.641 -4.192 1.00 73.21 C ATOM 942 CG2 VAL A 63 3.150 -3.718 -5.635 1.00 11.10 C ATOM 0 H VAL A 63 1.254 -4.743 -7.089 1.00 63.02 H new ATOM 0 HA VAL A 63 3.672 -6.077 -6.923 1.00 2.40 H new ATOM 0 HB VAL A 63 1.846 -5.108 -4.685 1.00 65.15 H new ATOM 0 HG11 VAL A 63 3.905 -4.961 -3.342 1.00 73.21 H new ATOM 0 HG12 VAL A 63 3.563 -6.634 -3.845 1.00 73.21 H new ATOM 0 HG13 VAL A 63 4.824 -5.694 -4.678 1.00 73.21 H new ATOM 0 HG21 VAL A 63 3.214 -3.064 -4.765 1.00 11.10 H new ATOM 0 HG22 VAL A 63 4.106 -3.720 -6.159 1.00 11.10 H new ATOM 0 HG23 VAL A 63 2.370 -3.355 -6.305 1.00 11.10 H new ATOM 952 N ILE A 64 1.155 -7.726 -5.555 1.00 33.43 N ATOM 953 CA ILE A 64 0.732 -9.034 -5.070 1.00 72.32 C ATOM 954 C ILE A 64 0.915 -10.103 -6.142 1.00 10.51 C ATOM 955 O ILE A 64 1.526 -11.144 -5.897 1.00 43.30 O ATOM 956 CB ILE A 64 -0.742 -9.020 -4.622 1.00 65.33 C ATOM 957 CG1 ILE A 64 -0.951 -7.981 -3.518 1.00 72.12 C ATOM 958 CG2 ILE A 64 -1.162 -10.401 -4.143 1.00 31.53 C ATOM 959 CD1 ILE A 64 -0.073 -8.201 -2.306 1.00 30.40 C ATOM 0 H ILE A 64 0.410 -7.031 -5.598 1.00 33.43 H new ATOM 0 HA ILE A 64 1.361 -9.270 -4.212 1.00 72.32 H new ATOM 0 HB ILE A 64 -1.364 -8.748 -5.475 1.00 65.33 H new ATOM 0 HG12 ILE A 64 -0.755 -6.988 -3.923 1.00 72.12 H new ATOM 0 HG13 ILE A 64 -1.996 -7.998 -3.208 1.00 72.12 H new ATOM 0 HG21 ILE A 64 -2.206 -10.376 -3.830 1.00 31.53 H new ATOM 0 HG22 ILE A 64 -1.044 -11.119 -4.955 1.00 31.53 H new ATOM 0 HG23 ILE A 64 -0.538 -10.700 -3.301 1.00 31.53 H new ATOM 0 HD11 ILE A 64 -0.275 -7.428 -1.565 1.00 30.40 H new ATOM 0 HD12 ILE A 64 -0.285 -9.180 -1.876 1.00 30.40 H new ATOM 0 HD13 ILE A 64 0.975 -8.154 -2.603 1.00 30.40 H new ATOM 971 N CYS A 65 0.384 -9.838 -7.330 1.00 14.25 N ATOM 972 CA CYS A 65 0.489 -10.777 -8.441 1.00 44.14 C ATOM 973 C CYS A 65 1.943 -11.168 -8.687 1.00 74.31 C ATOM 974 O CYS A 65 2.230 -12.281 -9.127 1.00 51.04 O ATOM 975 CB CYS A 65 -0.108 -10.168 -9.710 1.00 34.05 C ATOM 976 SG CYS A 65 -0.085 -11.271 -11.142 1.00 43.15 S ATOM 0 H CYS A 65 -0.124 -8.981 -7.549 1.00 14.25 H new ATOM 0 HA CYS A 65 -0.071 -11.674 -8.179 1.00 44.14 H new ATOM 0 HB2 CYS A 65 -1.138 -9.874 -9.509 1.00 34.05 H new ATOM 0 HB3 CYS A 65 0.441 -9.259 -9.957 1.00 34.05 H new ATOM 0 HG CYS A 65 0.845 -12.166 -10.986 1.00 43.15 H new ATOM 982 N ASP A 66 2.854 -10.245 -8.400 1.00 71.53 N ATOM 983 CA ASP A 66 4.279 -10.494 -8.589 1.00 11.22 C ATOM 984 C ASP A 66 4.844 -11.325 -7.442 1.00 1.12 C ATOM 985 O ASP A 66 5.345 -12.430 -7.650 1.00 74.32 O ATOM 986 CB ASP A 66 5.038 -9.171 -8.699 1.00 4.12 C ATOM 987 CG ASP A 66 4.443 -8.246 -9.744 1.00 40.23 C ATOM 988 OD1 ASP A 66 4.670 -7.021 -9.652 1.00 71.43 O ATOM 989 OD2 ASP A 66 3.751 -8.748 -10.654 1.00 43.34 O ATOM 0 H ASP A 66 2.632 -9.318 -8.036 1.00 71.53 H new ATOM 0 HA ASP A 66 4.405 -11.055 -9.515 1.00 11.22 H new ATOM 0 HB2 ASP A 66 5.033 -8.671 -7.730 1.00 4.12 H new ATOM 0 HB3 ASP A 66 6.080 -9.373 -8.948 1.00 4.12 H new ATOM 994 N LEU A 67 4.761 -10.785 -6.231 1.00 72.32 N ATOM 995 CA LEU A 67 5.265 -11.476 -5.050 1.00 24.43 C ATOM 996 C LEU A 67 4.703 -12.891 -4.965 1.00 32.34 C ATOM 997 O LEU A 67 5.405 -13.827 -4.584 1.00 21.00 O ATOM 998 CB LEU A 67 4.903 -10.695 -3.784 1.00 60.11 C ATOM 999 CG LEU A 67 6.012 -9.824 -3.193 1.00 60.30 C ATOM 1000 CD1 LEU A 67 5.569 -8.371 -3.124 1.00 30.54 C ATOM 1001 CD2 LEU A 67 6.409 -10.329 -1.814 1.00 33.55 C ATOM 0 H LEU A 67 4.350 -9.871 -6.042 1.00 72.32 H new ATOM 0 HA LEU A 67 6.350 -11.540 -5.133 1.00 24.43 H new ATOM 0 HB2 LEU A 67 4.047 -10.057 -4.007 1.00 60.11 H new ATOM 0 HB3 LEU A 67 4.582 -11.405 -3.022 1.00 60.11 H new ATOM 0 HG LEU A 67 6.883 -9.886 -3.845 1.00 60.30 H new ATOM 0 HD11 LEU A 67 6.371 -7.766 -2.701 1.00 30.54 H new ATOM 0 HD12 LEU A 67 5.335 -8.014 -4.127 1.00 30.54 H new ATOM 0 HD13 LEU A 67 4.683 -8.290 -2.495 1.00 30.54 H new ATOM 0 HD21 LEU A 67 7.199 -9.697 -1.409 1.00 33.55 H new ATOM 0 HD22 LEU A 67 5.544 -10.297 -1.152 1.00 33.55 H new ATOM 0 HD23 LEU A 67 6.769 -11.355 -1.892 1.00 33.55 H new ATOM 1013 N GLN A 68 3.432 -13.040 -5.325 1.00 1.02 N ATOM 1014 CA GLN A 68 2.776 -14.342 -5.291 1.00 52.33 C ATOM 1015 C GLN A 68 3.274 -15.232 -6.425 1.00 43.21 C ATOM 1016 O GLN A 68 3.562 -16.411 -6.220 1.00 54.24 O ATOM 1017 CB GLN A 68 1.258 -14.175 -5.388 1.00 51.33 C ATOM 1018 CG GLN A 68 0.503 -15.493 -5.426 1.00 34.51 C ATOM 1019 CD GLN A 68 0.008 -15.843 -6.815 1.00 75.31 C ATOM 1020 OE1 GLN A 68 0.795 -16.183 -7.700 1.00 24.03 O ATOM 1021 NE2 GLN A 68 -1.302 -15.763 -7.015 1.00 32.04 N ATOM 0 H GLN A 68 2.836 -12.276 -5.643 1.00 1.02 H new ATOM 0 HA GLN A 68 3.022 -14.820 -4.343 1.00 52.33 H new ATOM 0 HB2 GLN A 68 0.910 -13.591 -4.536 1.00 51.33 H new ATOM 0 HB3 GLN A 68 1.020 -13.603 -6.285 1.00 51.33 H new ATOM 0 HG2 GLN A 68 1.153 -16.290 -5.065 1.00 34.51 H new ATOM 0 HG3 GLN A 68 -0.346 -15.441 -4.745 1.00 34.51 H new ATOM 0 HE21 GLN A 68 -1.918 -15.477 -6.254 1.00 32.04 H new ATOM 0 HE22 GLN A 68 -1.693 -15.988 -7.930 1.00 32.04 H new ATOM 1030 N GLU A 69 3.375 -14.659 -7.621 1.00 32.43 N ATOM 1031 CA GLU A 69 3.837 -15.403 -8.787 1.00 25.23 C ATOM 1032 C GLU A 69 5.170 -16.088 -8.501 1.00 33.01 C ATOM 1033 O GLU A 69 5.405 -17.216 -8.934 1.00 61.34 O ATOM 1034 CB GLU A 69 3.979 -14.469 -9.992 1.00 25.42 C ATOM 1035 CG GLU A 69 4.656 -15.117 -11.187 1.00 3.40 C ATOM 1036 CD GLU A 69 4.383 -14.378 -12.483 1.00 72.40 C ATOM 1037 OE1 GLU A 69 3.232 -14.433 -12.964 1.00 0.21 O ATOM 1038 OE2 GLU A 69 5.319 -13.747 -13.016 1.00 3.20 O ATOM 0 H GLU A 69 3.143 -13.683 -7.807 1.00 32.43 H new ATOM 0 HA GLU A 69 3.096 -16.169 -9.015 1.00 25.23 H new ATOM 0 HB2 GLU A 69 2.990 -14.121 -10.290 1.00 25.42 H new ATOM 0 HB3 GLU A 69 4.550 -13.590 -9.694 1.00 25.42 H new ATOM 0 HG2 GLU A 69 5.732 -15.155 -11.014 1.00 3.40 H new ATOM 0 HG3 GLU A 69 4.312 -16.147 -11.281 1.00 3.40 H new ATOM 1045 N ARG A 70 6.040 -15.398 -7.770 1.00 1.34 N ATOM 1046 CA ARG A 70 7.349 -15.938 -7.428 1.00 64.11 C ATOM 1047 C ARG A 70 7.230 -17.010 -6.349 1.00 53.33 C ATOM 1048 O ARG A 70 7.645 -18.152 -6.546 1.00 55.12 O ATOM 1049 CB ARG A 70 8.278 -14.820 -6.951 1.00 33.14 C ATOM 1050 CG ARG A 70 8.591 -13.790 -8.023 1.00 65.14 C ATOM 1051 CD ARG A 70 9.990 -13.986 -8.590 1.00 3.24 C ATOM 1052 NE ARG A 70 10.049 -13.678 -10.016 1.00 54.14 N ATOM 1053 CZ ARG A 70 10.146 -12.444 -10.499 1.00 70.22 C ATOM 1054 NH1 ARG A 70 10.195 -11.408 -9.674 1.00 2.22 N ATOM 1055 NH2 ARG A 70 10.196 -12.245 -11.809 1.00 55.51 N ATOM 0 H ARG A 70 5.861 -14.463 -7.403 1.00 1.34 H new ATOM 0 HA ARG A 70 7.771 -16.394 -8.324 1.00 64.11 H new ATOM 0 HB2 ARG A 70 7.820 -14.318 -6.099 1.00 33.14 H new ATOM 0 HB3 ARG A 70 9.211 -15.260 -6.598 1.00 33.14 H new ATOM 0 HG2 ARG A 70 7.858 -13.864 -8.826 1.00 65.14 H new ATOM 0 HG3 ARG A 70 8.504 -12.788 -7.603 1.00 65.14 H new ATOM 0 HD2 ARG A 70 10.692 -13.349 -8.052 1.00 3.24 H new ATOM 0 HD3 ARG A 70 10.306 -15.017 -8.428 1.00 3.24 H new ATOM 0 HE ARG A 70 10.014 -14.453 -10.678 1.00 54.14 H new ATOM 0 HH11 ARG A 70 10.158 -11.557 -8.666 1.00 2.22 H new ATOM 0 HH12 ARG A 70 10.269 -10.462 -10.047 1.00 2.22 H new ATOM 0 HH21 ARG A 70 10.160 -13.040 -12.447 1.00 55.51 H new ATOM 0 HH22 ARG A 70 10.270 -11.297 -12.178 1.00 55.51 H new ATOM 1069 N ARG A 71 6.661 -16.634 -5.209 1.00 25.15 N ATOM 1070 CA ARG A 71 6.488 -17.562 -4.098 1.00 70.15 C ATOM 1071 C ARG A 71 5.782 -18.834 -4.556 1.00 51.41 C ATOM 1072 O ARG A 71 5.997 -19.910 -3.999 1.00 14.20 O ATOM 1073 CB ARG A 71 5.691 -16.902 -2.972 1.00 4.54 C ATOM 1074 CG ARG A 71 5.280 -17.864 -1.871 1.00 32.33 C ATOM 1075 CD ARG A 71 3.820 -18.268 -2.000 1.00 13.23 C ATOM 1076 NE ARG A 71 3.199 -18.505 -0.700 1.00 75.51 N ATOM 1077 CZ ARG A 71 2.030 -19.116 -0.543 1.00 72.43 C ATOM 1078 NH1 ARG A 71 1.358 -19.549 -1.601 1.00 52.11 N ATOM 1079 NH2 ARG A 71 1.531 -19.294 0.673 1.00 70.52 N ATOM 0 H ARG A 71 6.312 -15.693 -5.030 1.00 25.15 H new ATOM 0 HA ARG A 71 7.477 -17.830 -3.725 1.00 70.15 H new ATOM 0 HB2 ARG A 71 6.288 -16.100 -2.538 1.00 4.54 H new ATOM 0 HB3 ARG A 71 4.797 -16.442 -3.393 1.00 4.54 H new ATOM 0 HG2 ARG A 71 5.909 -18.753 -1.910 1.00 32.33 H new ATOM 0 HG3 ARG A 71 5.445 -17.399 -0.899 1.00 32.33 H new ATOM 0 HD2 ARG A 71 3.273 -17.485 -2.525 1.00 13.23 H new ATOM 0 HD3 ARG A 71 3.746 -19.171 -2.607 1.00 13.23 H new ATOM 0 HE ARG A 71 3.690 -18.183 0.134 1.00 75.51 H new ATOM 0 HH11 ARG A 71 1.739 -19.413 -2.538 1.00 52.11 H new ATOM 0 HH12 ARG A 71 0.461 -20.018 -1.478 1.00 52.11 H new ATOM 0 HH21 ARG A 71 2.045 -18.962 1.489 1.00 70.52 H new ATOM 0 HH22 ARG A 71 0.633 -19.763 0.792 1.00 70.52 H new ATOM 1093 N GLU A 72 4.940 -18.702 -5.576 1.00 13.35 N ATOM 1094 CA GLU A 72 4.200 -19.841 -6.109 1.00 24.40 C ATOM 1095 C GLU A 72 5.117 -20.753 -6.919 1.00 52.34 C ATOM 1096 O GLU A 72 5.198 -21.955 -6.667 1.00 20.21 O ATOM 1097 CB GLU A 72 3.039 -19.362 -6.981 1.00 4.25 C ATOM 1098 CG GLU A 72 2.326 -20.483 -7.717 1.00 75.01 C ATOM 1099 CD GLU A 72 1.939 -21.628 -6.801 1.00 4.02 C ATOM 1100 OE1 GLU A 72 2.208 -22.793 -7.162 1.00 15.23 O ATOM 1101 OE2 GLU A 72 1.368 -21.359 -5.723 1.00 52.21 O ATOM 0 H GLU A 72 4.753 -17.818 -6.050 1.00 13.35 H new ATOM 0 HA GLU A 72 3.801 -20.408 -5.268 1.00 24.40 H new ATOM 0 HB2 GLU A 72 2.319 -18.835 -6.355 1.00 4.25 H new ATOM 0 HB3 GLU A 72 3.415 -18.643 -7.709 1.00 4.25 H new ATOM 0 HG2 GLU A 72 1.430 -20.087 -8.195 1.00 75.01 H new ATOM 0 HG3 GLU A 72 2.971 -20.860 -8.511 1.00 75.01 H new ATOM 1108 N LYS A 73 5.806 -20.172 -7.896 1.00 62.22 N ATOM 1109 CA LYS A 73 6.717 -20.930 -8.745 1.00 61.12 C ATOM 1110 C LYS A 73 7.701 -21.737 -7.903 1.00 1.30 C ATOM 1111 O LYS A 73 8.144 -22.812 -8.308 1.00 20.14 O ATOM 1112 CB LYS A 73 7.482 -19.987 -9.677 1.00 71.23 C ATOM 1113 CG LYS A 73 7.491 -20.441 -11.126 1.00 12.53 C ATOM 1114 CD LYS A 73 8.680 -19.870 -11.882 1.00 34.30 C ATOM 1115 CE LYS A 73 9.713 -20.944 -12.187 1.00 4.33 C ATOM 1116 NZ LYS A 73 10.527 -21.287 -10.989 1.00 61.01 N ATOM 0 H LYS A 73 5.750 -19.178 -8.119 1.00 62.22 H new ATOM 0 HA LYS A 73 6.125 -21.622 -9.344 1.00 61.12 H new ATOM 0 HB2 LYS A 73 7.038 -18.993 -9.619 1.00 71.23 H new ATOM 0 HB3 LYS A 73 8.510 -19.898 -9.326 1.00 71.23 H new ATOM 0 HG2 LYS A 73 7.521 -21.530 -11.167 1.00 12.53 H new ATOM 0 HG3 LYS A 73 6.566 -20.130 -11.612 1.00 12.53 H new ATOM 0 HD2 LYS A 73 8.338 -19.418 -12.813 1.00 34.30 H new ATOM 0 HD3 LYS A 73 9.141 -19.077 -11.293 1.00 34.30 H new ATOM 0 HE2 LYS A 73 9.209 -21.839 -12.552 1.00 4.33 H new ATOM 0 HE3 LYS A 73 10.370 -20.600 -12.986 1.00 4.33 H new ATOM 0 HZ1 LYS A 73 11.219 -22.022 -11.238 1.00 61.01 H new ATOM 0 HZ2 LYS A 73 11.028 -20.439 -10.655 1.00 61.01 H new ATOM 0 HZ3 LYS A 73 9.904 -21.640 -10.235 1.00 61.01 H new ATOM 1130 N PHE A 74 8.038 -21.212 -6.730 1.00 22.44 N ATOM 1131 CA PHE A 74 8.969 -21.884 -5.830 1.00 20.12 C ATOM 1132 C PHE A 74 8.222 -22.773 -4.839 1.00 42.31 C ATOM 1133 O PHE A 74 8.767 -23.755 -4.337 1.00 23.04 O ATOM 1134 CB PHE A 74 9.813 -20.856 -5.074 1.00 55.43 C ATOM 1135 CG PHE A 74 11.102 -20.516 -5.765 1.00 42.23 C ATOM 1136 CD1 PHE A 74 11.166 -19.460 -6.661 1.00 61.34 C ATOM 1137 CD2 PHE A 74 12.250 -21.251 -5.519 1.00 43.14 C ATOM 1138 CE1 PHE A 74 12.352 -19.144 -7.298 1.00 14.10 C ATOM 1139 CE2 PHE A 74 13.439 -20.939 -6.152 1.00 53.23 C ATOM 1140 CZ PHE A 74 13.489 -19.885 -7.044 1.00 11.11 C ATOM 0 H PHE A 74 7.681 -20.323 -6.380 1.00 22.44 H new ATOM 0 HA PHE A 74 9.626 -22.512 -6.431 1.00 20.12 H new ATOM 0 HB2 PHE A 74 9.229 -19.945 -4.942 1.00 55.43 H new ATOM 0 HB3 PHE A 74 10.034 -21.240 -4.078 1.00 55.43 H new ATOM 0 HD1 PHE A 74 10.279 -18.878 -6.864 1.00 61.34 H new ATOM 0 HD2 PHE A 74 12.216 -22.077 -4.825 1.00 43.14 H new ATOM 0 HE1 PHE A 74 12.389 -18.319 -7.993 1.00 14.10 H new ATOM 0 HE2 PHE A 74 14.328 -21.518 -5.949 1.00 53.23 H new ATOM 0 HZ PHE A 74 14.416 -19.641 -7.542 1.00 11.11 H new ATOM 1150 N GLY A 75 6.970 -22.420 -4.563 1.00 43.34 N ATOM 1151 CA GLY A 75 6.169 -23.193 -3.633 1.00 55.34 C ATOM 1152 C GLY A 75 5.305 -22.320 -2.745 1.00 71.34 C ATOM 1153 O GLY A 75 4.324 -21.736 -3.203 1.00 2.24 O ATOM 0 H GLY A 75 6.497 -21.612 -4.967 1.00 43.34 H new ATOM 0 HA2 GLY A 75 5.533 -23.880 -4.191 1.00 55.34 H new ATOM 0 HA3 GLY A 75 6.826 -23.801 -3.011 1.00 55.34 H new ATOM 1157 N SER A 76 5.671 -22.233 -1.470 1.00 3.44 N ATOM 1158 CA SER A 76 4.919 -21.428 -0.514 1.00 64.50 C ATOM 1159 C SER A 76 5.836 -20.882 0.576 1.00 50.22 C ATOM 1160 O SER A 76 7.015 -21.229 0.642 1.00 62.22 O ATOM 1161 CB SER A 76 3.800 -22.259 0.116 1.00 74.31 C ATOM 1162 OG SER A 76 2.695 -22.376 -0.764 1.00 31.24 O ATOM 0 H SER A 76 6.482 -22.709 -1.076 1.00 3.44 H new ATOM 0 HA SER A 76 4.480 -20.587 -1.051 1.00 64.50 H new ATOM 0 HB2 SER A 76 4.176 -23.251 0.367 1.00 74.31 H new ATOM 0 HB3 SER A 76 3.479 -21.795 1.049 1.00 74.31 H new ATOM 0 HG SER A 76 2.970 -22.122 -1.670 1.00 31.24 H new ATOM 1168 N SER A 77 5.286 -20.024 1.429 1.00 54.13 N ATOM 1169 CA SER A 77 6.055 -19.426 2.515 1.00 11.55 C ATOM 1170 C SER A 77 5.153 -18.604 3.430 1.00 32.23 C ATOM 1171 O SER A 77 4.308 -17.838 2.966 1.00 15.11 O ATOM 1172 CB SER A 77 7.169 -18.542 1.951 1.00 70.55 C ATOM 1173 OG SER A 77 7.647 -17.636 2.932 1.00 52.14 O ATOM 0 H SER A 77 4.311 -19.727 1.389 1.00 54.13 H new ATOM 0 HA SER A 77 6.500 -20.231 3.100 1.00 11.55 H new ATOM 0 HB2 SER A 77 7.989 -19.167 1.598 1.00 70.55 H new ATOM 0 HB3 SER A 77 6.797 -17.987 1.090 1.00 70.55 H new ATOM 0 HG SER A 77 8.622 -17.564 2.863 1.00 52.14 H new ATOM 1179 N LYS A 78 5.338 -18.768 4.735 1.00 30.24 N ATOM 1180 CA LYS A 78 4.544 -18.042 5.719 1.00 21.42 C ATOM 1181 C LYS A 78 4.874 -16.553 5.693 1.00 21.42 C ATOM 1182 O LYS A 78 3.978 -15.709 5.714 1.00 61.24 O ATOM 1183 CB LYS A 78 4.791 -18.605 7.120 1.00 35.32 C ATOM 1184 CG LYS A 78 3.631 -19.426 7.658 1.00 33.43 C ATOM 1185 CD LYS A 78 4.105 -20.751 8.232 1.00 31.34 C ATOM 1186 CE LYS A 78 3.070 -21.848 8.029 1.00 25.24 C ATOM 1187 NZ LYS A 78 3.631 -23.007 7.282 1.00 61.51 N ATOM 0 H LYS A 78 6.032 -19.398 5.137 1.00 30.24 H new ATOM 0 HA LYS A 78 3.492 -18.168 5.464 1.00 21.42 H new ATOM 0 HB2 LYS A 78 5.687 -19.226 7.100 1.00 35.32 H new ATOM 0 HB3 LYS A 78 4.990 -17.780 7.804 1.00 35.32 H new ATOM 0 HG2 LYS A 78 3.110 -18.859 8.430 1.00 33.43 H new ATOM 0 HG3 LYS A 78 2.913 -19.611 6.859 1.00 33.43 H new ATOM 0 HD2 LYS A 78 5.042 -21.041 7.756 1.00 31.34 H new ATOM 0 HD3 LYS A 78 4.310 -20.635 9.296 1.00 31.34 H new ATOM 0 HE2 LYS A 78 2.702 -22.184 8.998 1.00 25.24 H new ATOM 0 HE3 LYS A 78 2.215 -21.445 7.486 1.00 25.24 H new ATOM 0 HZ1 LYS A 78 2.896 -23.733 7.164 1.00 61.51 H new ATOM 0 HZ2 LYS A 78 3.959 -22.691 6.347 1.00 61.51 H new ATOM 0 HZ3 LYS A 78 4.431 -23.408 7.812 1.00 61.51 H new ATOM 1201 N GLU A 79 6.164 -16.238 5.646 1.00 61.04 N ATOM 1202 CA GLU A 79 6.611 -14.851 5.615 1.00 24.53 C ATOM 1203 C GLU A 79 6.106 -14.143 4.362 1.00 52.11 C ATOM 1204 O GLU A 79 5.607 -13.020 4.428 1.00 10.21 O ATOM 1205 CB GLU A 79 8.138 -14.781 5.673 1.00 63.33 C ATOM 1206 CG GLU A 79 8.740 -15.569 6.826 1.00 62.12 C ATOM 1207 CD GLU A 79 9.951 -14.885 7.430 1.00 1.11 C ATOM 1208 OE1 GLU A 79 11.004 -15.546 7.553 1.00 30.23 O ATOM 1209 OE2 GLU A 79 9.847 -13.691 7.778 1.00 64.10 O ATOM 0 H GLU A 79 6.918 -16.925 5.629 1.00 61.04 H new ATOM 0 HA GLU A 79 6.198 -14.345 6.488 1.00 24.53 H new ATOM 0 HB2 GLU A 79 8.547 -15.156 4.735 1.00 63.33 H new ATOM 0 HB3 GLU A 79 8.443 -13.738 5.759 1.00 63.33 H new ATOM 0 HG2 GLU A 79 7.984 -15.710 7.599 1.00 62.12 H new ATOM 0 HG3 GLU A 79 9.025 -16.560 6.474 1.00 62.12 H new ATOM 1216 N ILE A 80 6.241 -14.809 3.219 1.00 44.11 N ATOM 1217 CA ILE A 80 5.799 -14.245 1.950 1.00 3.43 C ATOM 1218 C ILE A 80 4.289 -14.034 1.939 1.00 21.23 C ATOM 1219 O ILE A 80 3.809 -12.927 1.694 1.00 13.24 O ATOM 1220 CB ILE A 80 6.188 -15.149 0.766 1.00 40.14 C ATOM 1221 CG1 ILE A 80 7.704 -15.354 0.729 1.00 22.14 C ATOM 1222 CG2 ILE A 80 5.697 -14.550 -0.543 1.00 2.54 C ATOM 1223 CD1 ILE A 80 8.158 -16.315 -0.347 1.00 74.44 C ATOM 0 H ILE A 80 6.653 -15.739 3.147 1.00 44.11 H new ATOM 0 HA ILE A 80 6.299 -13.283 1.841 1.00 3.43 H new ATOM 0 HB ILE A 80 5.712 -16.120 0.899 1.00 40.14 H new ATOM 0 HG12 ILE A 80 8.189 -14.390 0.572 1.00 22.14 H new ATOM 0 HG13 ILE A 80 8.036 -15.724 1.699 1.00 22.14 H new ATOM 0 HG21 ILE A 80 5.980 -15.201 -1.370 1.00 2.54 H new ATOM 0 HG22 ILE A 80 4.612 -14.452 -0.514 1.00 2.54 H new ATOM 0 HG23 ILE A 80 6.147 -13.567 -0.685 1.00 2.54 H new ATOM 0 HD11 ILE A 80 9.243 -16.412 -0.314 1.00 74.44 H new ATOM 0 HD12 ILE A 80 7.702 -17.291 -0.180 1.00 74.44 H new ATOM 0 HD13 ILE A 80 7.857 -15.936 -1.324 1.00 74.44 H new ATOM 1235 N ASP A 81 3.545 -15.101 2.208 1.00 60.22 N ATOM 1236 CA ASP A 81 2.089 -15.033 2.232 1.00 31.13 C ATOM 1237 C ASP A 81 1.614 -13.898 3.134 1.00 11.13 C ATOM 1238 O ASP A 81 0.603 -13.254 2.856 1.00 14.00 O ATOM 1239 CB ASP A 81 1.502 -16.362 2.712 1.00 63.35 C ATOM 1240 CG ASP A 81 0.021 -16.263 3.018 1.00 75.33 C ATOM 1241 OD1 ASP A 81 -0.791 -16.643 2.149 1.00 30.43 O ATOM 1242 OD2 ASP A 81 -0.326 -15.808 4.128 1.00 43.03 O ATOM 0 H ASP A 81 3.927 -16.024 2.413 1.00 60.22 H new ATOM 0 HA ASP A 81 1.742 -14.837 1.217 1.00 31.13 H new ATOM 0 HB2 ASP A 81 1.662 -17.124 1.949 1.00 63.35 H new ATOM 0 HB3 ASP A 81 2.034 -16.689 3.605 1.00 63.35 H new ATOM 1247 N MET A 82 2.349 -13.660 4.215 1.00 11.55 N ATOM 1248 CA MET A 82 2.001 -12.602 5.157 1.00 34.31 C ATOM 1249 C MET A 82 2.099 -11.232 4.496 1.00 14.24 C ATOM 1250 O MET A 82 1.130 -10.472 4.473 1.00 61.45 O ATOM 1251 CB MET A 82 2.918 -12.658 6.380 1.00 61.43 C ATOM 1252 CG MET A 82 2.172 -12.841 7.691 1.00 22.32 C ATOM 1253 SD MET A 82 2.539 -14.418 8.485 1.00 23.32 S ATOM 1254 CE MET A 82 2.458 -13.953 10.214 1.00 42.15 C ATOM 0 H MET A 82 3.189 -14.185 4.461 1.00 11.55 H new ATOM 0 HA MET A 82 0.971 -12.758 5.477 1.00 34.31 H new ATOM 0 HB2 MET A 82 3.625 -13.478 6.256 1.00 61.43 H new ATOM 0 HB3 MET A 82 3.502 -11.739 6.429 1.00 61.43 H new ATOM 0 HG2 MET A 82 2.432 -12.028 8.369 1.00 22.32 H new ATOM 0 HG3 MET A 82 1.100 -12.772 7.507 1.00 22.32 H new ATOM 0 HE1 MET A 82 2.663 -14.825 10.835 1.00 42.15 H new ATOM 0 HE2 MET A 82 3.198 -13.180 10.418 1.00 42.15 H new ATOM 0 HE3 MET A 82 1.463 -13.571 10.442 1.00 42.15 H new ATOM 1264 N ALA A 83 3.274 -10.921 3.958 1.00 23.50 N ATOM 1265 CA ALA A 83 3.497 -9.642 3.296 1.00 52.04 C ATOM 1266 C ALA A 83 2.422 -9.372 2.249 1.00 12.24 C ATOM 1267 O ALA A 83 2.025 -8.225 2.036 1.00 43.11 O ATOM 1268 CB ALA A 83 4.877 -9.613 2.656 1.00 2.31 C ATOM 0 H ALA A 83 4.086 -11.538 3.968 1.00 23.50 H new ATOM 0 HA ALA A 83 3.441 -8.856 4.049 1.00 52.04 H new ATOM 0 HB1 ALA A 83 5.030 -8.652 2.165 1.00 2.31 H new ATOM 0 HB2 ALA A 83 5.637 -9.753 3.424 1.00 2.31 H new ATOM 0 HB3 ALA A 83 4.953 -10.413 1.920 1.00 2.31 H new ATOM 1274 N ILE A 84 1.954 -10.432 1.600 1.00 34.14 N ATOM 1275 CA ILE A 84 0.923 -10.308 0.577 1.00 64.03 C ATOM 1276 C ILE A 84 -0.388 -9.807 1.174 1.00 74.35 C ATOM 1277 O ILE A 84 -0.919 -8.777 0.760 1.00 2.30 O ATOM 1278 CB ILE A 84 0.671 -11.651 -0.134 1.00 4.24 C ATOM 1279 CG1 ILE A 84 1.959 -12.158 -0.785 1.00 63.41 C ATOM 1280 CG2 ILE A 84 -0.430 -11.500 -1.173 1.00 40.44 C ATOM 1281 CD1 ILE A 84 1.946 -13.643 -1.073 1.00 12.43 C ATOM 0 H ILE A 84 2.272 -11.387 1.764 1.00 34.14 H new ATOM 0 HA ILE A 84 1.287 -9.583 -0.151 1.00 64.03 H new ATOM 0 HB ILE A 84 0.348 -12.383 0.606 1.00 4.24 H new ATOM 0 HG12 ILE A 84 2.123 -11.617 -1.717 1.00 63.41 H new ATOM 0 HG13 ILE A 84 2.801 -11.930 -0.131 1.00 63.41 H new ATOM 0 HG21 ILE A 84 -0.597 -12.457 -1.668 1.00 40.44 H new ATOM 0 HG22 ILE A 84 -1.350 -11.178 -0.684 1.00 40.44 H new ATOM 0 HG23 ILE A 84 -0.133 -10.756 -1.913 1.00 40.44 H new ATOM 0 HD11 ILE A 84 2.890 -13.932 -1.534 1.00 12.43 H new ATOM 0 HD12 ILE A 84 1.813 -14.193 -0.141 1.00 12.43 H new ATOM 0 HD13 ILE A 84 1.125 -13.875 -1.751 1.00 12.43 H new ATOM 1293 N VAL A 85 -0.905 -10.543 2.153 1.00 52.13 N ATOM 1294 CA VAL A 85 -2.152 -10.174 2.811 1.00 10.21 C ATOM 1295 C VAL A 85 -2.076 -8.762 3.380 1.00 64.41 C ATOM 1296 O VAL A 85 -3.080 -8.053 3.453 1.00 43.45 O ATOM 1297 CB VAL A 85 -2.501 -11.155 3.945 1.00 71.33 C ATOM 1298 CG1 VAL A 85 -3.870 -10.835 4.525 1.00 21.54 C ATOM 1299 CG2 VAL A 85 -2.447 -12.590 3.444 1.00 54.21 C ATOM 0 H VAL A 85 -0.479 -11.399 2.508 1.00 52.13 H new ATOM 0 HA VAL A 85 -2.934 -10.215 2.053 1.00 10.21 H new ATOM 0 HB VAL A 85 -1.762 -11.044 4.738 1.00 71.33 H new ATOM 0 HG11 VAL A 85 -4.100 -11.539 5.325 1.00 21.54 H new ATOM 0 HG12 VAL A 85 -3.868 -9.820 4.923 1.00 21.54 H new ATOM 0 HG13 VAL A 85 -4.625 -10.916 3.743 1.00 21.54 H new ATOM 0 HG21 VAL A 85 -2.696 -13.270 4.259 1.00 54.21 H new ATOM 0 HG22 VAL A 85 -3.163 -12.719 2.632 1.00 54.21 H new ATOM 0 HG23 VAL A 85 -1.443 -12.811 3.081 1.00 54.21 H new ATOM 1309 N THR A 86 -0.875 -8.357 3.785 1.00 31.51 N ATOM 1310 CA THR A 86 -0.667 -7.030 4.350 1.00 62.25 C ATOM 1311 C THR A 86 -0.925 -5.944 3.312 1.00 41.01 C ATOM 1312 O THR A 86 -1.683 -5.004 3.557 1.00 70.21 O ATOM 1313 CB THR A 86 0.765 -6.871 4.897 1.00 10.02 C ATOM 1314 OG1 THR A 86 1.193 -8.091 5.512 1.00 53.22 O ATOM 1315 CG2 THR A 86 0.836 -5.736 5.907 1.00 55.31 C ATOM 0 H THR A 86 -0.033 -8.930 3.732 1.00 31.51 H new ATOM 0 HA THR A 86 -1.376 -6.921 5.170 1.00 62.25 H new ATOM 0 HB THR A 86 1.425 -6.635 4.062 1.00 10.02 H new ATOM 0 HG1 THR A 86 1.419 -8.745 4.818 1.00 53.22 H new ATOM 0 HG21 THR A 86 1.856 -5.643 6.279 1.00 55.31 H new ATOM 0 HG22 THR A 86 0.538 -4.803 5.428 1.00 55.31 H new ATOM 0 HG23 THR A 86 0.164 -5.947 6.739 1.00 55.31 H new ATOM 1323 N LEU A 87 -0.292 -6.078 2.152 1.00 42.31 N ATOM 1324 CA LEU A 87 -0.454 -5.108 1.075 1.00 33.14 C ATOM 1325 C LEU A 87 -1.898 -5.079 0.581 1.00 71.25 C ATOM 1326 O LEU A 87 -2.374 -4.060 0.081 1.00 14.41 O ATOM 1327 CB LEU A 87 0.486 -5.440 -0.083 1.00 54.54 C ATOM 1328 CG LEU A 87 1.982 -5.398 0.232 1.00 1.43 C ATOM 1329 CD1 LEU A 87 2.715 -6.508 -0.504 1.00 51.31 C ATOM 1330 CD2 LEU A 87 2.565 -4.040 -0.129 1.00 21.10 C ATOM 0 H LEU A 87 0.339 -6.849 1.933 1.00 42.31 H new ATOM 0 HA LEU A 87 -0.203 -4.122 1.467 1.00 33.14 H new ATOM 0 HB2 LEU A 87 0.240 -6.437 -0.449 1.00 54.54 H new ATOM 0 HB3 LEU A 87 0.287 -4.743 -0.897 1.00 54.54 H new ATOM 0 HG LEU A 87 2.112 -5.554 1.303 1.00 1.43 H new ATOM 0 HD11 LEU A 87 3.778 -6.461 -0.267 1.00 51.31 H new ATOM 0 HD12 LEU A 87 2.316 -7.474 -0.195 1.00 51.31 H new ATOM 0 HD13 LEU A 87 2.577 -6.385 -1.578 1.00 51.31 H new ATOM 0 HD21 LEU A 87 3.630 -4.028 0.102 1.00 21.10 H new ATOM 0 HD22 LEU A 87 2.422 -3.854 -1.194 1.00 21.10 H new ATOM 0 HD23 LEU A 87 2.061 -3.263 0.446 1.00 21.10 H new ATOM 1342 N LYS A 88 -2.590 -6.204 0.727 1.00 22.24 N ATOM 1343 CA LYS A 88 -3.980 -6.308 0.300 1.00 23.31 C ATOM 1344 C LYS A 88 -4.905 -5.588 1.277 1.00 42.31 C ATOM 1345 O LYS A 88 -5.581 -4.626 0.913 1.00 4.15 O ATOM 1346 CB LYS A 88 -4.390 -7.778 0.182 1.00 21.33 C ATOM 1347 CG LYS A 88 -3.573 -8.557 -0.833 1.00 53.02 C ATOM 1348 CD LYS A 88 -3.640 -10.053 -0.574 1.00 11.22 C ATOM 1349 CE LYS A 88 -4.177 -10.805 -1.782 1.00 63.25 C ATOM 1350 NZ LYS A 88 -3.548 -12.147 -1.924 1.00 34.35 N ATOM 0 H LYS A 88 -2.210 -7.057 1.138 1.00 22.24 H new ATOM 0 HA LYS A 88 -4.071 -5.832 -0.676 1.00 23.31 H new ATOM 0 HB2 LYS A 88 -4.291 -8.254 1.158 1.00 21.33 H new ATOM 0 HB3 LYS A 88 -5.443 -7.832 -0.093 1.00 21.33 H new ATOM 0 HG2 LYS A 88 -3.940 -8.344 -1.837 1.00 53.02 H new ATOM 0 HG3 LYS A 88 -2.535 -8.227 -0.796 1.00 53.02 H new ATOM 0 HD2 LYS A 88 -2.646 -10.425 -0.325 1.00 11.22 H new ATOM 0 HD3 LYS A 88 -4.278 -10.246 0.289 1.00 11.22 H new ATOM 0 HE2 LYS A 88 -5.257 -10.918 -1.689 1.00 63.25 H new ATOM 0 HE3 LYS A 88 -3.994 -10.221 -2.684 1.00 63.25 H new ATOM 0 HZ1 LYS A 88 -4.272 -12.842 -2.197 1.00 34.35 H new ATOM 0 HZ2 LYS A 88 -2.811 -12.109 -2.657 1.00 34.35 H new ATOM 0 HZ3 LYS A 88 -3.122 -12.428 -1.018 1.00 34.35 H new ATOM 1364 N VAL A 89 -4.929 -6.061 2.520 1.00 1.24 N ATOM 1365 CA VAL A 89 -5.769 -5.460 3.549 1.00 24.21 C ATOM 1366 C VAL A 89 -5.558 -3.952 3.621 1.00 63.43 C ATOM 1367 O VAL A 89 -6.483 -3.198 3.923 1.00 61.12 O ATOM 1368 CB VAL A 89 -5.485 -6.074 4.933 1.00 52.13 C ATOM 1369 CG1 VAL A 89 -5.706 -7.579 4.906 1.00 11.51 C ATOM 1370 CG2 VAL A 89 -4.070 -5.743 5.383 1.00 52.42 C ATOM 0 H VAL A 89 -4.377 -6.858 2.838 1.00 1.24 H new ATOM 0 HA VAL A 89 -6.803 -5.665 3.273 1.00 24.21 H new ATOM 0 HB VAL A 89 -6.181 -5.642 5.652 1.00 52.13 H new ATOM 0 HG11 VAL A 89 -5.500 -7.995 5.892 1.00 11.51 H new ATOM 0 HG12 VAL A 89 -6.740 -7.790 4.631 1.00 11.51 H new ATOM 0 HG13 VAL A 89 -5.037 -8.032 4.175 1.00 11.51 H new ATOM 0 HG21 VAL A 89 -3.887 -6.185 6.363 1.00 52.42 H new ATOM 0 HG22 VAL A 89 -3.356 -6.145 4.664 1.00 52.42 H new ATOM 0 HG23 VAL A 89 -3.952 -4.661 5.445 1.00 52.42 H new ATOM 1380 N PHE A 90 -4.334 -3.518 3.340 1.00 63.43 N ATOM 1381 CA PHE A 90 -3.999 -2.099 3.374 1.00 25.21 C ATOM 1382 C PHE A 90 -4.480 -1.397 2.107 1.00 74.00 C ATOM 1383 O PHE A 90 -4.934 -0.255 2.152 1.00 25.41 O ATOM 1384 CB PHE A 90 -2.489 -1.913 3.532 1.00 51.03 C ATOM 1385 CG PHE A 90 -2.046 -0.481 3.419 1.00 72.25 C ATOM 1386 CD1 PHE A 90 -1.917 0.308 4.550 1.00 0.22 C ATOM 1387 CD2 PHE A 90 -1.759 0.074 2.182 1.00 32.52 C ATOM 1388 CE1 PHE A 90 -1.510 1.625 4.450 1.00 1.13 C ATOM 1389 CE2 PHE A 90 -1.352 1.389 2.076 1.00 5.20 C ATOM 1390 CZ PHE A 90 -1.228 2.167 3.211 1.00 63.35 C ATOM 0 H PHE A 90 -3.557 -4.129 3.086 1.00 63.43 H new ATOM 0 HA PHE A 90 -4.504 -1.652 4.230 1.00 25.21 H new ATOM 0 HB2 PHE A 90 -2.182 -2.304 4.502 1.00 51.03 H new ATOM 0 HB3 PHE A 90 -1.977 -2.504 2.773 1.00 51.03 H new ATOM 0 HD1 PHE A 90 -2.137 -0.111 5.521 1.00 0.22 H new ATOM 0 HD2 PHE A 90 -1.855 -0.529 1.291 1.00 32.52 H new ATOM 0 HE1 PHE A 90 -1.413 2.230 5.339 1.00 1.13 H new ATOM 0 HE2 PHE A 90 -1.131 1.809 1.106 1.00 5.20 H new ATOM 0 HZ PHE A 90 -0.911 3.196 3.130 1.00 63.35 H new ATOM 1400 N ALA A 91 -4.376 -2.091 0.978 1.00 32.00 N ATOM 1401 CA ALA A 91 -4.801 -1.536 -0.301 1.00 53.34 C ATOM 1402 C ALA A 91 -6.311 -1.324 -0.333 1.00 60.10 C ATOM 1403 O ALA A 91 -6.790 -0.256 -0.711 1.00 3.22 O ATOM 1404 CB ALA A 91 -4.369 -2.446 -1.441 1.00 52.04 C ATOM 0 H ALA A 91 -4.001 -3.038 0.923 1.00 32.00 H new ATOM 0 HA ALA A 91 -4.322 -0.565 -0.425 1.00 53.34 H new ATOM 0 HB1 ALA A 91 -4.693 -2.019 -2.390 1.00 52.04 H new ATOM 0 HB2 ALA A 91 -3.283 -2.542 -1.438 1.00 52.04 H new ATOM 0 HB3 ALA A 91 -4.821 -3.430 -1.313 1.00 52.04 H new ATOM 1410 N VAL A 92 -7.056 -2.351 0.065 1.00 41.10 N ATOM 1411 CA VAL A 92 -8.512 -2.277 0.082 1.00 3.14 C ATOM 1412 C VAL A 92 -9.001 -1.330 1.172 1.00 14.42 C ATOM 1413 O VAL A 92 -9.720 -0.369 0.897 1.00 74.31 O ATOM 1414 CB VAL A 92 -9.142 -3.665 0.302 1.00 73.14 C ATOM 1415 CG1 VAL A 92 -10.650 -3.603 0.115 1.00 51.41 C ATOM 1416 CG2 VAL A 92 -8.520 -4.686 -0.638 1.00 33.31 C ATOM 0 H VAL A 92 -6.675 -3.243 0.380 1.00 41.10 H new ATOM 0 HA VAL A 92 -8.821 -1.896 -0.891 1.00 3.14 H new ATOM 0 HB VAL A 92 -8.941 -3.979 1.326 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -11.077 -4.593 0.274 1.00 51.41 H new ATOM 0 HG12 VAL A 92 -11.077 -2.903 0.833 1.00 51.41 H new ATOM 0 HG13 VAL A 92 -10.878 -3.268 -0.897 1.00 51.41 H new ATOM 0 HG21 VAL A 92 -8.976 -5.661 -0.469 1.00 33.31 H new ATOM 0 HG22 VAL A 92 -8.689 -4.380 -1.671 1.00 33.31 H new ATOM 0 HG23 VAL A 92 -7.448 -4.749 -0.449 1.00 33.31 H new ATOM 1426 N ALA A 93 -8.606 -1.607 2.410 1.00 33.52 N ATOM 1427 CA ALA A 93 -9.003 -0.779 3.542 1.00 21.41 C ATOM 1428 C ALA A 93 -8.399 0.617 3.439 1.00 54.51 C ATOM 1429 O ALA A 93 -8.802 1.534 4.153 1.00 35.23 O ATOM 1430 CB ALA A 93 -8.590 -1.439 4.849 1.00 33.51 C ATOM 0 H ALA A 93 -8.011 -2.399 2.655 1.00 33.52 H new ATOM 0 HA ALA A 93 -10.088 -0.679 3.525 1.00 21.41 H new ATOM 0 HB1 ALA A 93 -8.893 -0.810 5.686 1.00 33.51 H new ATOM 0 HB2 ALA A 93 -9.073 -2.412 4.934 1.00 33.51 H new ATOM 0 HB3 ALA A 93 -7.508 -1.568 4.865 1.00 33.51 H new ATOM 1436 N GLY A 94 -7.428 0.773 2.544 1.00 54.51 N ATOM 1437 CA GLY A 94 -6.784 2.060 2.364 1.00 44.55 C ATOM 1438 C GLY A 94 -7.351 2.834 1.190 1.00 15.11 C ATOM 1439 O GLY A 94 -8.063 3.822 1.374 1.00 52.41 O ATOM 0 H GLY A 94 -7.076 0.030 1.940 1.00 54.51 H new ATOM 0 HA2 GLY A 94 -6.898 2.650 3.273 1.00 44.55 H new ATOM 0 HA3 GLY A 94 -5.715 1.910 2.214 1.00 44.55 H new ATOM 1443 N LEU A 95 -7.036 2.385 -0.021 1.00 65.20 N ATOM 1444 CA LEU A 95 -7.517 3.043 -1.230 1.00 5.43 C ATOM 1445 C LEU A 95 -9.042 3.032 -1.286 1.00 62.31 C ATOM 1446 O LEU A 95 -9.668 4.032 -1.637 1.00 32.42 O ATOM 1447 CB LEU A 95 -6.945 2.356 -2.471 1.00 71.14 C ATOM 1448 CG LEU A 95 -5.472 2.633 -2.773 1.00 23.54 C ATOM 1449 CD1 LEU A 95 -5.208 4.130 -2.816 1.00 52.51 C ATOM 1450 CD2 LEU A 95 -4.580 1.963 -1.737 1.00 0.34 C ATOM 0 H LEU A 95 -6.450 1.568 -0.191 1.00 65.20 H new ATOM 0 HA LEU A 95 -7.180 4.079 -1.208 1.00 5.43 H new ATOM 0 HB2 LEU A 95 -7.076 1.280 -2.359 1.00 71.14 H new ATOM 0 HB3 LEU A 95 -7.536 2.660 -3.335 1.00 71.14 H new ATOM 0 HG LEU A 95 -5.237 2.215 -3.752 1.00 23.54 H new ATOM 0 HD11 LEU A 95 -4.155 4.308 -3.032 1.00 52.51 H new ATOM 0 HD12 LEU A 95 -5.820 4.585 -3.595 1.00 52.51 H new ATOM 0 HD13 LEU A 95 -5.460 4.572 -1.852 1.00 52.51 H new ATOM 0 HD21 LEU A 95 -3.535 2.171 -1.968 1.00 0.34 H new ATOM 0 HD22 LEU A 95 -4.817 2.352 -0.747 1.00 0.34 H new ATOM 0 HD23 LEU A 95 -4.748 0.886 -1.754 1.00 0.34 H new ATOM 1462 N LEU A 96 -9.632 1.894 -0.936 1.00 5.22 N ATOM 1463 CA LEU A 96 -11.084 1.752 -0.944 1.00 25.20 C ATOM 1464 C LEU A 96 -11.677 2.151 0.404 1.00 10.44 C ATOM 1465 O LEU A 96 -12.894 2.141 0.584 1.00 24.52 O ATOM 1466 CB LEU A 96 -11.474 0.311 -1.278 1.00 24.03 C ATOM 1467 CG LEU A 96 -12.680 0.140 -2.202 1.00 43.33 C ATOM 1468 CD1 LEU A 96 -12.240 0.124 -3.657 1.00 5.41 C ATOM 1469 CD2 LEU A 96 -13.438 -1.134 -1.858 1.00 73.34 C ATOM 0 H LEU A 96 -9.128 1.057 -0.643 1.00 5.22 H new ATOM 0 HA LEU A 96 -11.485 2.417 -1.709 1.00 25.20 H new ATOM 0 HB2 LEU A 96 -10.616 -0.179 -1.738 1.00 24.03 H new ATOM 0 HB3 LEU A 96 -11.679 -0.215 -0.345 1.00 24.03 H new ATOM 0 HG LEU A 96 -13.349 0.988 -2.056 1.00 43.33 H new ATOM 0 HD11 LEU A 96 -13.112 0.001 -4.299 1.00 5.41 H new ATOM 0 HD12 LEU A 96 -11.742 1.063 -3.897 1.00 5.41 H new ATOM 0 HD13 LEU A 96 -11.550 -0.704 -3.819 1.00 5.41 H new ATOM 0 HD21 LEU A 96 -14.293 -1.240 -2.525 1.00 73.34 H new ATOM 0 HD22 LEU A 96 -12.778 -1.993 -1.975 1.00 73.34 H new ATOM 0 HD23 LEU A 96 -13.787 -1.083 -0.827 1.00 73.34 H new ATOM 1481 N ASN A 97 -10.809 2.505 1.346 1.00 43.43 N ATOM 1482 CA ASN A 97 -11.247 2.910 2.676 1.00 21.30 C ATOM 1483 C ASN A 97 -12.203 1.881 3.271 1.00 55.01 C ATOM 1484 O ASN A 97 -13.081 2.219 4.065 1.00 51.21 O ATOM 1485 CB ASN A 97 -11.927 4.280 2.618 1.00 32.50 C ATOM 1486 CG ASN A 97 -11.130 5.286 1.811 1.00 40.14 C ATOM 1487 OD1 ASN A 97 -11.210 5.316 0.582 1.00 21.24 O ATOM 1488 ND2 ASN A 97 -10.355 6.116 2.499 1.00 11.51 N ATOM 0 H ASN A 97 -9.798 2.519 1.213 1.00 43.43 H new ATOM 0 HA ASN A 97 -10.367 2.975 3.316 1.00 21.30 H new ATOM 0 HB2 ASN A 97 -12.920 4.172 2.181 1.00 32.50 H new ATOM 0 HB3 ASN A 97 -12.064 4.658 3.631 1.00 32.50 H new ATOM 0 HD21 ASN A 97 -9.795 6.814 2.010 1.00 11.51 H new ATOM 0 HD22 ASN A 97 -10.320 6.055 3.517 1.00 11.51 H new ATOM 1495 N MET A 98 -12.027 0.622 2.881 1.00 63.20 N ATOM 1496 CA MET A 98 -12.872 -0.457 3.377 1.00 25.42 C ATOM 1497 C MET A 98 -12.504 -0.821 4.812 1.00 13.21 C ATOM 1498 O MET A 98 -11.477 -0.383 5.331 1.00 3.23 O ATOM 1499 CB MET A 98 -12.745 -1.688 2.477 1.00 63.34 C ATOM 1500 CG MET A 98 -14.083 -2.257 2.032 1.00 64.32 C ATOM 1501 SD MET A 98 -14.049 -4.050 1.855 1.00 74.33 S ATOM 1502 CE MET A 98 -15.414 -4.304 0.723 1.00 3.45 C ATOM 0 H MET A 98 -11.307 0.325 2.223 1.00 63.20 H new ATOM 0 HA MET A 98 -13.905 -0.111 3.363 1.00 25.42 H new ATOM 0 HB2 MET A 98 -12.160 -1.425 1.596 1.00 63.34 H new ATOM 0 HB3 MET A 98 -12.190 -2.461 3.009 1.00 63.34 H new ATOM 0 HG2 MET A 98 -14.850 -1.982 2.756 1.00 64.32 H new ATOM 0 HG3 MET A 98 -14.367 -1.807 1.081 1.00 64.32 H new ATOM 0 HE1 MET A 98 -15.521 -5.369 0.515 1.00 3.45 H new ATOM 0 HE2 MET A 98 -16.333 -3.928 1.171 1.00 3.45 H new ATOM 0 HE3 MET A 98 -15.219 -3.770 -0.207 1.00 3.45 H new ATOM 1512 N THR A 99 -13.349 -1.626 5.449 1.00 21.32 N ATOM 1513 CA THR A 99 -13.113 -2.048 6.824 1.00 5.01 C ATOM 1514 C THR A 99 -12.871 -3.551 6.905 1.00 3.14 C ATOM 1515 O THR A 99 -13.706 -4.297 7.417 1.00 41.11 O ATOM 1516 CB THR A 99 -14.299 -1.680 7.736 1.00 34.23 C ATOM 1517 OG1 THR A 99 -15.477 -2.375 7.311 1.00 23.10 O ATOM 1518 CG2 THR A 99 -14.554 -0.180 7.715 1.00 72.35 C ATOM 0 H THR A 99 -14.203 -1.999 5.034 1.00 21.32 H new ATOM 0 HA THR A 99 -12.223 -1.521 7.168 1.00 5.01 H new ATOM 0 HB THR A 99 -14.050 -1.976 8.755 1.00 34.23 H new ATOM 0 HG1 THR A 99 -15.322 -3.341 7.360 1.00 23.10 H new ATOM 0 HG21 THR A 99 -15.396 0.055 8.366 1.00 72.35 H new ATOM 0 HG22 THR A 99 -13.666 0.345 8.066 1.00 72.35 H new ATOM 0 HG23 THR A 99 -14.783 0.136 6.697 1.00 72.35 H new ATOM 1526 N VAL A 100 -11.724 -3.988 6.397 1.00 34.12 N ATOM 1527 CA VAL A 100 -11.372 -5.403 6.413 1.00 41.32 C ATOM 1528 C VAL A 100 -11.515 -5.989 7.813 1.00 53.24 C ATOM 1529 O VAL A 100 -10.852 -5.549 8.752 1.00 20.33 O ATOM 1530 CB VAL A 100 -9.929 -5.628 5.920 1.00 14.45 C ATOM 1531 CG1 VAL A 100 -9.593 -7.111 5.911 1.00 73.22 C ATOM 1532 CG2 VAL A 100 -9.740 -5.022 4.538 1.00 44.55 C ATOM 0 H VAL A 100 -11.023 -3.383 5.969 1.00 34.12 H new ATOM 0 HA VAL A 100 -12.062 -5.909 5.738 1.00 41.32 H new ATOM 0 HB VAL A 100 -9.246 -5.130 6.608 1.00 14.45 H new ATOM 0 HG11 VAL A 100 -8.570 -7.250 5.560 1.00 73.22 H new ATOM 0 HG12 VAL A 100 -9.688 -7.512 6.920 1.00 73.22 H new ATOM 0 HG13 VAL A 100 -10.279 -7.636 5.246 1.00 73.22 H new ATOM 0 HG21 VAL A 100 -8.716 -5.189 4.204 1.00 44.55 H new ATOM 0 HG22 VAL A 100 -10.431 -5.491 3.838 1.00 44.55 H new ATOM 0 HG23 VAL A 100 -9.937 -3.951 4.580 1.00 44.55 H new ATOM 1542 N SER A 101 -12.385 -6.985 7.945 1.00 11.14 N ATOM 1543 CA SER A 101 -12.619 -7.630 9.232 1.00 70.34 C ATOM 1544 C SER A 101 -11.442 -8.522 9.614 1.00 41.21 C ATOM 1545 O SER A 101 -11.022 -8.556 10.772 1.00 2.31 O ATOM 1546 CB SER A 101 -13.905 -8.457 9.186 1.00 12.25 C ATOM 1547 OG SER A 101 -14.987 -7.750 9.769 1.00 15.20 O ATOM 0 H SER A 101 -12.939 -7.363 7.177 1.00 11.14 H new ATOM 0 HA SER A 101 -12.723 -6.851 9.987 1.00 70.34 H new ATOM 0 HB2 SER A 101 -14.144 -8.706 8.152 1.00 12.25 H new ATOM 0 HB3 SER A 101 -13.755 -9.399 9.714 1.00 12.25 H new ATOM 0 HG SER A 101 -15.798 -8.299 9.726 1.00 15.20 H new ATOM 1553 N THR A 102 -10.911 -9.245 8.632 1.00 32.12 N ATOM 1554 CA THR A 102 -9.784 -10.139 8.864 1.00 21.43 C ATOM 1555 C THR A 102 -8.846 -10.163 7.664 1.00 51.44 C ATOM 1556 O THR A 102 -9.268 -9.939 6.529 1.00 14.40 O ATOM 1557 CB THR A 102 -10.256 -11.575 9.161 1.00 2.12 C ATOM 1558 OG1 THR A 102 -10.785 -12.171 7.972 1.00 72.32 O ATOM 1559 CG2 THR A 102 -11.316 -11.580 10.252 1.00 33.30 C ATOM 0 H THR A 102 -11.244 -9.228 7.668 1.00 32.12 H new ATOM 0 HA THR A 102 -9.250 -9.754 9.732 1.00 21.43 H new ATOM 0 HB THR A 102 -9.399 -12.153 9.506 1.00 2.12 H new ATOM 0 HG1 THR A 102 -11.081 -13.084 8.168 1.00 72.32 H new ATOM 0 HG21 THR A 102 -11.635 -12.604 10.445 1.00 33.30 H new ATOM 0 HG22 THR A 102 -10.901 -11.151 11.164 1.00 33.30 H new ATOM 0 HG23 THR A 102 -12.173 -10.988 9.930 1.00 33.30 H new ATOM 1567 N ALA A 103 -7.570 -10.436 7.920 1.00 1.32 N ATOM 1568 CA ALA A 103 -6.573 -10.492 6.858 1.00 41.20 C ATOM 1569 C ALA A 103 -7.004 -11.445 5.749 1.00 3.11 C ATOM 1570 O ALA A 103 -6.771 -11.186 4.569 1.00 10.54 O ATOM 1571 CB ALA A 103 -5.224 -10.912 7.423 1.00 63.40 C ATOM 0 H ALA A 103 -7.203 -10.622 8.853 1.00 1.32 H new ATOM 0 HA ALA A 103 -6.480 -9.495 6.428 1.00 41.20 H new ATOM 0 HB1 ALA A 103 -4.489 -10.950 6.619 1.00 63.40 H new ATOM 0 HB2 ALA A 103 -4.904 -10.190 8.174 1.00 63.40 H new ATOM 0 HB3 ALA A 103 -5.312 -11.897 7.881 1.00 63.40 H new ATOM 1577 N ALA A 104 -7.633 -12.550 6.136 1.00 3.53 N ATOM 1578 CA ALA A 104 -8.098 -13.541 5.174 1.00 33.41 C ATOM 1579 C ALA A 104 -9.261 -13.002 4.348 1.00 41.41 C ATOM 1580 O ALA A 104 -9.387 -13.308 3.163 1.00 35.24 O ATOM 1581 CB ALA A 104 -8.506 -14.820 5.889 1.00 21.51 C ATOM 0 H ALA A 104 -7.832 -12.781 7.109 1.00 3.53 H new ATOM 0 HA ALA A 104 -7.276 -13.764 4.494 1.00 33.41 H new ATOM 0 HB1 ALA A 104 -8.851 -15.551 5.158 1.00 21.51 H new ATOM 0 HB2 ALA A 104 -7.650 -15.224 6.430 1.00 21.51 H new ATOM 0 HB3 ALA A 104 -9.310 -14.603 6.593 1.00 21.51 H new ATOM 1587 N ALA A 105 -10.108 -12.197 4.982 1.00 12.23 N ATOM 1588 CA ALA A 105 -11.259 -11.614 4.305 1.00 14.54 C ATOM 1589 C ALA A 105 -10.821 -10.692 3.171 1.00 71.41 C ATOM 1590 O ALA A 105 -11.397 -10.713 2.084 1.00 52.01 O ATOM 1591 CB ALA A 105 -12.128 -10.856 5.298 1.00 61.24 C ATOM 0 H ALA A 105 -10.018 -11.934 5.963 1.00 12.23 H new ATOM 0 HA ALA A 105 -11.844 -12.426 3.873 1.00 14.54 H new ATOM 0 HB1 ALA A 105 -12.984 -10.426 4.778 1.00 61.24 H new ATOM 0 HB2 ALA A 105 -12.479 -11.540 6.071 1.00 61.24 H new ATOM 0 HB3 ALA A 105 -11.544 -10.058 5.758 1.00 61.24 H new ATOM 1597 N ALA A 106 -9.798 -9.885 3.434 1.00 13.13 N ATOM 1598 CA ALA A 106 -9.283 -8.957 2.435 1.00 30.21 C ATOM 1599 C ALA A 106 -8.643 -9.704 1.270 1.00 43.51 C ATOM 1600 O ALA A 106 -9.004 -9.493 0.113 1.00 43.33 O ATOM 1601 CB ALA A 106 -8.281 -8.004 3.068 1.00 24.40 C ATOM 0 H ALA A 106 -9.310 -9.855 4.329 1.00 13.13 H new ATOM 0 HA ALA A 106 -10.121 -8.379 2.045 1.00 30.21 H new ATOM 0 HB1 ALA A 106 -7.904 -7.316 2.311 1.00 24.40 H new ATOM 0 HB2 ALA A 106 -8.769 -7.438 3.862 1.00 24.40 H new ATOM 0 HB3 ALA A 106 -7.451 -8.574 3.486 1.00 24.40 H new ATOM 1607 N GLU A 107 -7.691 -10.578 1.584 1.00 3.14 N ATOM 1608 CA GLU A 107 -7.000 -11.354 0.562 1.00 10.23 C ATOM 1609 C GLU A 107 -7.996 -12.104 -0.317 1.00 20.22 C ATOM 1610 O GLU A 107 -7.749 -12.328 -1.501 1.00 55.34 O ATOM 1611 CB GLU A 107 -6.029 -12.343 1.211 1.00 15.23 C ATOM 1612 CG GLU A 107 -5.430 -13.338 0.232 1.00 73.52 C ATOM 1613 CD GLU A 107 -5.972 -14.743 0.423 1.00 45.41 C ATOM 1614 OE1 GLU A 107 -5.199 -15.621 0.861 1.00 40.54 O ATOM 1615 OE2 GLU A 107 -7.167 -14.962 0.134 1.00 63.54 O ATOM 0 H GLU A 107 -7.381 -10.766 2.538 1.00 3.14 H new ATOM 0 HA GLU A 107 -6.437 -10.662 -0.065 1.00 10.23 H new ATOM 0 HB2 GLU A 107 -5.223 -11.787 1.690 1.00 15.23 H new ATOM 0 HB3 GLU A 107 -6.551 -12.889 1.997 1.00 15.23 H new ATOM 0 HG2 GLU A 107 -5.635 -13.009 -0.787 1.00 73.52 H new ATOM 0 HG3 GLU A 107 -4.347 -13.351 0.350 1.00 73.52 H new ATOM 1622 N ASN A 108 -9.123 -12.491 0.273 1.00 2.43 N ATOM 1623 CA ASN A 108 -10.157 -13.217 -0.456 1.00 45.34 C ATOM 1624 C ASN A 108 -10.852 -12.308 -1.465 1.00 21.24 C ATOM 1625 O ASN A 108 -11.003 -12.661 -2.633 1.00 43.24 O ATOM 1626 CB ASN A 108 -11.184 -13.797 0.518 1.00 53.31 C ATOM 1627 CG ASN A 108 -11.013 -15.291 0.716 1.00 23.52 C ATOM 1628 OD1 ASN A 108 -10.190 -15.732 1.519 1.00 2.42 O ATOM 1629 ND2 ASN A 108 -11.793 -16.078 -0.015 1.00 42.32 N ATOM 0 H ASN A 108 -9.343 -12.314 1.253 1.00 2.43 H new ATOM 0 HA ASN A 108 -9.680 -14.033 -0.999 1.00 45.34 H new ATOM 0 HB2 ASN A 108 -11.093 -13.293 1.480 1.00 53.31 H new ATOM 0 HB3 ASN A 108 -12.188 -13.595 0.146 1.00 53.31 H new ATOM 0 HD21 ASN A 108 -11.724 -17.092 0.077 1.00 42.32 H new ATOM 0 HD22 ASN A 108 -12.461 -15.669 -0.668 1.00 42.32 H new ATOM 1636 N MET A 109 -11.274 -11.135 -1.003 1.00 43.54 N ATOM 1637 CA MET A 109 -11.951 -10.173 -1.866 1.00 71.21 C ATOM 1638 C MET A 109 -11.021 -9.684 -2.971 1.00 62.21 C ATOM 1639 O MET A 109 -11.445 -9.483 -4.109 1.00 43.12 O ATOM 1640 CB MET A 109 -12.456 -8.986 -1.044 1.00 33.43 C ATOM 1641 CG MET A 109 -13.968 -8.948 -0.897 1.00 30.14 C ATOM 1642 SD MET A 109 -14.524 -9.547 0.711 1.00 14.42 S ATOM 1643 CE MET A 109 -14.405 -8.051 1.689 1.00 64.40 C ATOM 0 H MET A 109 -11.159 -10.828 -0.037 1.00 43.54 H new ATOM 0 HA MET A 109 -12.802 -10.673 -2.328 1.00 71.21 H new ATOM 0 HB2 MET A 109 -12.004 -9.022 -0.053 1.00 33.43 H new ATOM 0 HB3 MET A 109 -12.121 -8.061 -1.513 1.00 33.43 H new ATOM 0 HG2 MET A 109 -14.318 -7.926 -1.040 1.00 30.14 H new ATOM 0 HG3 MET A 109 -14.421 -9.553 -1.682 1.00 30.14 H new ATOM 0 HE1 MET A 109 -14.293 -8.312 2.741 1.00 64.40 H new ATOM 0 HE2 MET A 109 -13.540 -7.472 1.365 1.00 64.40 H new ATOM 0 HE3 MET A 109 -15.309 -7.457 1.557 1.00 64.40 H new ATOM 1653 N TYR A 110 -9.752 -9.494 -2.628 1.00 44.14 N ATOM 1654 CA TYR A 110 -8.762 -9.024 -3.591 1.00 61.12 C ATOM 1655 C TYR A 110 -8.594 -10.025 -4.731 1.00 22.24 C ATOM 1656 O TYR A 110 -8.721 -9.673 -5.903 1.00 41.34 O ATOM 1657 CB TYR A 110 -7.417 -8.792 -2.899 1.00 54.40 C ATOM 1658 CG TYR A 110 -6.754 -7.490 -3.289 1.00 64.41 C ATOM 1659 CD1 TYR A 110 -7.434 -6.283 -3.187 1.00 13.14 C ATOM 1660 CD2 TYR A 110 -5.446 -7.467 -3.758 1.00 25.54 C ATOM 1661 CE1 TYR A 110 -6.833 -5.091 -3.542 1.00 13.40 C ATOM 1662 CE2 TYR A 110 -4.836 -6.280 -4.114 1.00 63.32 C ATOM 1663 CZ TYR A 110 -5.533 -5.095 -4.005 1.00 35.43 C ATOM 1664 OH TYR A 110 -4.930 -3.910 -4.359 1.00 70.24 O ATOM 0 H TYR A 110 -9.384 -9.658 -1.691 1.00 44.14 H new ATOM 0 HA TYR A 110 -9.116 -8.081 -4.008 1.00 61.12 H new ATOM 0 HB2 TYR A 110 -7.566 -8.805 -1.819 1.00 54.40 H new ATOM 0 HB3 TYR A 110 -6.747 -9.618 -3.139 1.00 54.40 H new ATOM 0 HD1 TYR A 110 -8.451 -6.276 -2.824 1.00 13.14 H new ATOM 0 HD2 TYR A 110 -4.897 -8.393 -3.846 1.00 25.54 H new ATOM 0 HE1 TYR A 110 -7.377 -4.162 -3.458 1.00 13.40 H new ATOM 0 HE2 TYR A 110 -3.818 -6.280 -4.476 1.00 63.32 H new ATOM 0 HH TYR A 110 -4.015 -4.087 -4.663 1.00 70.24 H new ATOM 1674 N SER A 111 -8.308 -11.273 -4.376 1.00 31.23 N ATOM 1675 CA SER A 111 -8.120 -12.325 -5.368 1.00 62.54 C ATOM 1676 C SER A 111 -9.426 -12.627 -6.096 1.00 23.24 C ATOM 1677 O SER A 111 -9.444 -12.806 -7.313 1.00 40.22 O ATOM 1678 CB SER A 111 -7.590 -13.596 -4.700 1.00 51.13 C ATOM 1679 OG SER A 111 -8.495 -14.072 -3.720 1.00 52.23 O ATOM 0 H SER A 111 -8.201 -11.581 -3.409 1.00 31.23 H new ATOM 0 HA SER A 111 -7.391 -11.975 -6.098 1.00 62.54 H new ATOM 0 HB2 SER A 111 -7.427 -14.366 -5.454 1.00 51.13 H new ATOM 0 HB3 SER A 111 -6.624 -13.392 -4.239 1.00 51.13 H new ATOM 0 HG SER A 111 -8.378 -13.562 -2.891 1.00 52.23 H new ATOM 1685 N GLN A 112 -10.518 -12.680 -5.340 1.00 34.02 N ATOM 1686 CA GLN A 112 -11.830 -12.961 -5.912 1.00 2.52 C ATOM 1687 C GLN A 112 -12.259 -11.846 -6.860 1.00 32.54 C ATOM 1688 O GLN A 112 -12.991 -12.083 -7.820 1.00 1.51 O ATOM 1689 CB GLN A 112 -12.868 -13.131 -4.802 1.00 32.32 C ATOM 1690 CG GLN A 112 -14.241 -13.541 -5.311 1.00 71.00 C ATOM 1691 CD GLN A 112 -15.213 -13.842 -4.187 1.00 13.23 C ATOM 1692 OE1 GLN A 112 -15.869 -14.884 -4.180 1.00 31.04 O ATOM 1693 NE2 GLN A 112 -15.314 -12.928 -3.229 1.00 45.53 N ATOM 0 H GLN A 112 -10.520 -12.532 -4.331 1.00 34.02 H new ATOM 0 HA GLN A 112 -11.761 -13.889 -6.479 1.00 2.52 H new ATOM 0 HB2 GLN A 112 -12.513 -13.881 -4.095 1.00 32.32 H new ATOM 0 HB3 GLN A 112 -12.958 -12.193 -4.253 1.00 32.32 H new ATOM 0 HG2 GLN A 112 -14.647 -12.744 -5.934 1.00 71.00 H new ATOM 0 HG3 GLN A 112 -14.141 -14.421 -5.946 1.00 71.00 H new ATOM 0 HE21 GLN A 112 -14.752 -12.078 -3.274 1.00 45.53 H new ATOM 0 HE22 GLN A 112 -15.954 -13.076 -2.449 1.00 45.53 H new ATOM 1702 N MET A 113 -11.801 -10.629 -6.582 1.00 75.35 N ATOM 1703 CA MET A 113 -12.138 -9.479 -7.411 1.00 22.22 C ATOM 1704 C MET A 113 -11.442 -9.561 -8.765 1.00 72.15 C ATOM 1705 O MET A 113 -11.870 -8.935 -9.733 1.00 2.52 O ATOM 1706 CB MET A 113 -11.747 -8.180 -6.702 1.00 73.43 C ATOM 1707 CG MET A 113 -12.851 -7.608 -5.830 1.00 23.44 C ATOM 1708 SD MET A 113 -12.261 -6.315 -4.720 1.00 4.01 S ATOM 1709 CE MET A 113 -13.804 -5.745 -4.012 1.00 74.10 C ATOM 0 H MET A 113 -11.196 -10.415 -5.789 1.00 75.35 H new ATOM 0 HA MET A 113 -13.215 -9.485 -7.576 1.00 22.22 H new ATOM 0 HB2 MET A 113 -10.867 -8.363 -6.086 1.00 73.43 H new ATOM 0 HB3 MET A 113 -11.465 -7.439 -7.449 1.00 73.43 H new ATOM 0 HG2 MET A 113 -13.638 -7.204 -6.466 1.00 23.44 H new ATOM 0 HG3 MET A 113 -13.297 -8.410 -5.242 1.00 23.44 H new ATOM 0 HE1 MET A 113 -13.604 -4.942 -3.302 1.00 74.10 H new ATOM 0 HE2 MET A 113 -14.454 -5.375 -4.805 1.00 74.10 H new ATOM 0 HE3 MET A 113 -14.295 -6.571 -3.497 1.00 74.10 H new ATOM 1719 N GLY A 114 -10.365 -10.339 -8.826 1.00 72.21 N ATOM 1720 CA GLY A 114 -9.627 -10.489 -10.067 1.00 62.12 C ATOM 1721 C GLY A 114 -8.284 -9.788 -10.030 1.00 5.31 C ATOM 1722 O GLY A 114 -7.738 -9.421 -11.072 1.00 64.02 O ATOM 0 H GLY A 114 -9.991 -10.868 -8.038 1.00 72.21 H new ATOM 0 HA2 GLY A 114 -9.475 -11.549 -10.270 1.00 62.12 H new ATOM 0 HA3 GLY A 114 -10.220 -10.089 -10.890 1.00 62.12 H new ATOM 1726 N LEU A 115 -7.749 -9.600 -8.829 1.00 24.15 N ATOM 1727 CA LEU A 115 -6.460 -8.936 -8.661 1.00 30.45 C ATOM 1728 C LEU A 115 -5.352 -9.954 -8.412 1.00 1.13 C ATOM 1729 O LEU A 115 -4.177 -9.676 -8.649 1.00 43.12 O ATOM 1730 CB LEU A 115 -6.525 -7.942 -7.500 1.00 21.21 C ATOM 1731 CG LEU A 115 -7.397 -6.705 -7.722 1.00 53.53 C ATOM 1732 CD1 LEU A 115 -8.857 -7.023 -7.439 1.00 24.40 C ATOM 1733 CD2 LEU A 115 -6.921 -5.553 -6.850 1.00 61.40 C ATOM 0 H LEU A 115 -8.187 -9.898 -7.957 1.00 24.15 H new ATOM 0 HA LEU A 115 -6.233 -8.397 -9.581 1.00 30.45 H new ATOM 0 HB2 LEU A 115 -6.893 -8.467 -6.619 1.00 21.21 H new ATOM 0 HB3 LEU A 115 -5.511 -7.611 -7.274 1.00 21.21 H new ATOM 0 HG LEU A 115 -7.308 -6.404 -8.766 1.00 53.53 H new ATOM 0 HD11 LEU A 115 -9.462 -6.131 -7.602 1.00 24.40 H new ATOM 0 HD12 LEU A 115 -9.193 -7.816 -8.107 1.00 24.40 H new ATOM 0 HD13 LEU A 115 -8.964 -7.350 -6.405 1.00 24.40 H new ATOM 0 HD21 LEU A 115 -7.553 -4.682 -7.021 1.00 61.40 H new ATOM 0 HD22 LEU A 115 -6.979 -5.843 -5.801 1.00 61.40 H new ATOM 0 HD23 LEU A 115 -5.889 -5.308 -7.102 1.00 61.40 H new ATOM 1745 N ASP A 116 -5.735 -11.133 -7.936 1.00 63.15 N ATOM 1746 CA ASP A 116 -4.773 -12.194 -7.658 1.00 12.23 C ATOM 1747 C ASP A 116 -5.371 -13.563 -7.967 1.00 51.05 C ATOM 1748 O ASP A 116 -6.571 -13.783 -7.793 1.00 64.43 O ATOM 1749 CB ASP A 116 -4.326 -12.137 -6.197 1.00 60.43 C ATOM 1750 CG ASP A 116 -3.218 -13.125 -5.891 1.00 52.34 C ATOM 1751 OD1 ASP A 116 -2.109 -12.963 -6.442 1.00 43.25 O ATOM 1752 OD2 ASP A 116 -3.459 -14.061 -5.102 1.00 70.22 O ATOM 0 H ASP A 116 -6.704 -11.379 -7.734 1.00 63.15 H new ATOM 0 HA ASP A 116 -3.906 -12.042 -8.301 1.00 12.23 H new ATOM 0 HB2 ASP A 116 -3.984 -11.129 -5.964 1.00 60.43 H new ATOM 0 HB3 ASP A 116 -5.180 -12.341 -5.551 1.00 60.43 H new ATOM 1757 N THR A 117 -4.527 -14.481 -8.429 1.00 23.01 N ATOM 1758 CA THR A 117 -4.972 -15.828 -8.764 1.00 61.11 C ATOM 1759 C THR A 117 -6.010 -15.802 -9.881 1.00 44.13 C ATOM 1760 O THR A 117 -6.491 -14.738 -10.268 1.00 12.52 O ATOM 1761 CB THR A 117 -5.571 -16.543 -7.539 1.00 71.23 C ATOM 1762 OG1 THR A 117 -5.048 -15.974 -6.334 1.00 4.12 O ATOM 1763 CG2 THR A 117 -5.262 -18.032 -7.577 1.00 73.41 C ATOM 0 H THR A 117 -3.532 -14.316 -8.580 1.00 23.01 H new ATOM 0 HA THR A 117 -4.093 -16.377 -9.101 1.00 61.11 H new ATOM 0 HB THR A 117 -6.653 -16.411 -7.563 1.00 71.23 H new ATOM 0 HG1 THR A 117 -5.436 -16.434 -5.560 1.00 4.12 H new ATOM 0 HG21 THR A 117 -5.695 -18.516 -6.702 1.00 73.41 H new ATOM 0 HG22 THR A 117 -5.687 -18.469 -8.481 1.00 73.41 H new ATOM 0 HG23 THR A 117 -4.182 -18.180 -7.576 1.00 73.41 H new ATOM 1771 N ARG A 118 -6.349 -16.980 -10.394 1.00 45.12 N ATOM 1772 CA ARG A 118 -7.329 -17.092 -11.467 1.00 15.44 C ATOM 1773 C ARG A 118 -8.742 -16.863 -10.939 1.00 4.24 C ATOM 1774 O ARG A 118 -9.008 -16.968 -9.741 1.00 31.13 O ATOM 1775 CB ARG A 118 -7.238 -18.468 -12.129 1.00 60.01 C ATOM 1776 CG ARG A 118 -6.253 -18.523 -13.285 1.00 54.02 C ATOM 1777 CD ARG A 118 -6.477 -19.755 -14.149 1.00 71.21 C ATOM 1778 NE ARG A 118 -5.988 -19.564 -15.512 1.00 13.21 N ATOM 1779 CZ ARG A 118 -4.701 -19.473 -15.825 1.00 51.11 C ATOM 1780 NH1 ARG A 118 -3.777 -19.557 -14.877 1.00 42.13 N ATOM 1781 NH2 ARG A 118 -4.334 -19.300 -17.088 1.00 12.23 N ATOM 0 H ARG A 118 -5.959 -17.870 -10.084 1.00 45.12 H new ATOM 0 HA ARG A 118 -7.107 -16.324 -12.208 1.00 15.44 H new ATOM 0 HB2 ARG A 118 -6.947 -19.204 -11.379 1.00 60.01 H new ATOM 0 HB3 ARG A 118 -8.226 -18.754 -12.490 1.00 60.01 H new ATOM 0 HG2 ARG A 118 -6.356 -17.626 -13.895 1.00 54.02 H new ATOM 0 HG3 ARG A 118 -5.234 -18.530 -12.897 1.00 54.02 H new ATOM 0 HD2 ARG A 118 -5.972 -20.610 -13.699 1.00 71.21 H new ATOM 0 HD3 ARG A 118 -7.541 -19.991 -14.175 1.00 71.21 H new ATOM 0 HE ARG A 118 -6.673 -19.497 -16.265 1.00 13.21 H new ATOM 0 HH11 ARG A 118 -4.055 -19.692 -13.905 1.00 42.13 H new ATOM 0 HH12 ARG A 118 -2.789 -19.487 -15.120 1.00 42.13 H new ATOM 0 HH21 ARG A 118 -5.041 -19.237 -17.820 1.00 12.23 H new ATOM 0 HH22 ARG A 118 -3.345 -19.230 -17.327 1.00 12.23 H new ATOM 1795 N PRO A 119 -9.671 -16.541 -11.852 1.00 23.24 N ATOM 1796 CA PRO A 119 -11.072 -16.289 -11.501 1.00 74.51 C ATOM 1797 C PRO A 119 -11.797 -17.559 -11.068 1.00 3.15 C ATOM 1798 O PRO A 119 -11.286 -18.665 -11.236 1.00 54.05 O ATOM 1799 CB PRO A 119 -11.672 -15.748 -12.801 1.00 44.11 C ATOM 1800 CG PRO A 119 -10.808 -16.308 -13.879 1.00 63.31 C ATOM 1801 CD PRO A 119 -9.424 -16.397 -13.296 1.00 23.02 C ATOM 0 HA PRO A 119 -11.165 -15.606 -10.657 1.00 74.51 H new ATOM 0 HB2 PRO A 119 -12.708 -16.064 -12.920 1.00 44.11 H new ATOM 0 HB3 PRO A 119 -11.667 -14.658 -12.816 1.00 44.11 H new ATOM 0 HG2 PRO A 119 -11.163 -17.289 -14.193 1.00 63.31 H new ATOM 0 HG3 PRO A 119 -10.820 -15.667 -14.761 1.00 63.31 H new ATOM 0 HD2 PRO A 119 -8.873 -17.248 -13.696 1.00 23.02 H new ATOM 0 HD3 PRO A 119 -8.837 -15.505 -13.516 1.00 23.02 H new TER 1809 PRO A 119 HETATM 1810 C1 MYR A 201 6.848 10.541 5.180 1.00 24.24 C HETATM 1811 O1 MYR A 201 6.907 9.872 6.212 1.00 51.24 O HETATM 1812 C2 MYR A 201 6.522 9.827 3.868 1.00 2.32 C HETATM 1813 C3 MYR A 201 5.548 10.594 2.944 1.00 30.01 C HETATM 1814 C4 MYR A 201 5.179 9.782 1.689 1.00 43.42 C HETATM 1815 C5 MYR A 201 3.987 8.839 1.935 1.00 1.11 C HETATM 1816 C6 MYR A 201 4.355 7.361 1.706 1.00 4.52 C HETATM 1817 C7 MYR A 201 3.196 6.411 2.062 1.00 41.15 C HETATM 1818 C8 MYR A 201 2.593 5.737 0.815 1.00 74.54 C HETATM 1819 C9 MYR A 201 2.837 4.215 0.801 1.00 14.42 C HETATM 1820 C10 MYR A 201 1.529 3.415 0.629 1.00 21.53 C HETATM 1821 C11 MYR A 201 1.711 1.883 0.665 1.00 30.11 C HETATM 1822 C12 MYR A 201 2.735 1.341 -0.354 1.00 25.10 C HETATM 1823 C13 MYR A 201 2.583 -0.172 -0.584 1.00 33.10 C HETATM 1824 C14 MYR A 201 2.647 -0.959 0.732 1.00 14.12 C HETATM 0 H143 MYR A 201 3.608 -0.782 1.215 1.00 14.12 H new HETATM 0 H142 MYR A 201 1.843 -0.631 1.391 1.00 14.12 H new HETATM 0 H141 MYR A 201 2.536 -2.023 0.525 1.00 14.12 H new HETATM 0 H132 MYR A 201 1.633 -0.370 -1.080 1.00 33.10 H new HETATM 0 H131 MYR A 201 3.370 -0.519 -1.253 1.00 33.10 H new HETATM 0 H122 MYR A 201 2.613 1.865 -1.302 1.00 25.10 H new HETATM 0 H121 MYR A 201 3.744 1.553 -0.000 1.00 25.10 H new HETATM 0 H112 MYR A 201 2.023 1.589 1.667 1.00 30.11 H new HETATM 0 H111 MYR A 201 0.747 1.410 0.480 1.00 30.11 H new HETATM 0 H102 MYR A 201 0.834 3.705 1.417 1.00 21.53 H new HETATM 0 H101 MYR A 201 1.070 3.692 -0.320 1.00 21.53 H new HETATM 0 H92 MYR A 201 3.522 3.966 -0.010 1.00 14.42 H new HETATM 0 H91 MYR A 201 3.322 3.918 1.731 1.00 14.42 H new HETATM 0 H82 MYR A 201 1.521 5.932 0.781 1.00 74.54 H new HETATM 0 H81 MYR A 201 3.026 6.181 -0.081 1.00 74.54 H new HETATM 0 H72 MYR A 201 3.554 5.645 2.750 1.00 41.15 H new HETATM 0 H71 MYR A 201 2.418 6.969 2.584 1.00 41.15 H new HETATM 0 H62 MYR A 201 4.634 7.215 0.663 1.00 4.52 H new HETATM 0 H61 MYR A 201 5.228 7.108 2.308 1.00 4.52 H new HETATM 0 H52 MYR A 201 3.629 8.968 2.956 1.00 1.11 H new HETATM 0 H51 MYR A 201 3.166 9.114 1.272 1.00 1.11 H new HETATM 0 H42 MYR A 201 4.937 10.465 0.875 1.00 43.42 H new HETATM 0 H41 MYR A 201 6.042 9.198 1.370 1.00 43.42 H new HETATM 0 H32 MYR A 201 4.641 10.838 3.497 1.00 30.01 H new HETATM 0 H31 MYR A 201 6.002 11.538 2.644 1.00 30.01 H new HETATM 0 H22 MYR A 201 7.451 9.648 3.326 1.00 2.32 H new HETATM 0 H21 MYR A 201 6.093 8.852 4.097 1.00 2.32 H new