USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O6 : rot -1:sc= -1.1 USER MOD Set 1.2: A 123 BGC O3 : rot 180:sc= 0 USER MOD Set 2.1: A 118 A2G O3 : rot 180:sc= -0.138 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 3.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 90 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 93 THR OG1 : rot 180:sc= -0.585 USER MOD Set 5.1: A 34 GLN :FLIP amide:sc= -3.42! C(o=-6!,f=-3.8!) USER MOD Set 5.2: A 68 THR OG1 : rot -167:sc= -0.354 USER MOD Set 6.1: A 5 LYS NZ :NH3+ -143:sc= 0.357 (180deg=0.231) USER MOD Set 6.2: A 92 SER OG : rot -11:sc= 0.361! USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.934 X(o=-0.93,f=-1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.817 X(o=-0.82,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc=-0.000486 (180deg=-0.169) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= -2.55! (180deg=-2.66!) USER MOD Single : A 27 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.023) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 36 GLN : amide:sc= -2.24! C(o=-2.2!,f=-1.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0574 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -0.0931 (180deg=-0.748) USER MOD Single : A 49 SER OG : rot 60:sc= 0.0625 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 61 SER OG : rot 180:sc= -0.137 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.868 USER MOD Single : A 67 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -3:sc= 0.00855 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 19:sc= 0.93 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.0794 X(o=-0.079,f=-0.079) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0658 X(o=-0.066,f=-0.55) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 113 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=-0.083) USER MOD Single : A 114 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.063) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 116 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.56) USER MOD Single : A 118 A2G O6 : rot -10:sc= -0.394 USER MOD Single : A 121 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 122 A2G O6 : rot 13:sc= 0.28 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 170:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.664 -0.753 -2.230 1.00 70.10 N ATOM 2 CA ASP A 1 2.701 -0.275 -1.322 1.00 73.10 C ATOM 3 C ASP A 1 3.162 1.126 -1.714 1.00 33.31 C ATOM 4 O ASP A 1 3.662 1.340 -2.819 1.00 33.15 O ATOM 5 CB ASP A 1 3.891 -1.235 -1.321 1.00 74.21 C ATOM 6 CG ASP A 1 5.110 -0.647 -0.638 1.00 33.33 C ATOM 7 OD1 ASP A 1 4.933 0.129 0.325 1.00 23.50 O ATOM 8 OD2 ASP A 1 6.240 -0.964 -1.065 1.00 35.52 O ATOM 0 H1 ASP A 1 1.366 -1.707 -1.944 1.00 70.10 H new ATOM 0 H2 ASP A 1 0.848 -0.110 -2.194 1.00 70.10 H new ATOM 0 H3 ASP A 1 2.039 -0.783 -3.200 1.00 70.10 H new ATOM 0 HA ASP A 1 2.279 -0.232 -0.318 1.00 73.10 H new ATOM 0 HB2 ASP A 1 3.607 -2.160 -0.818 1.00 74.21 H new ATOM 0 HB3 ASP A 1 4.144 -1.496 -2.349 1.00 74.21 H new ATOM 13 N VAL A 2 2.990 2.077 -0.801 1.00 73.10 N ATOM 14 CA VAL A 2 3.388 3.457 -1.050 1.00 51.23 C ATOM 15 C VAL A 2 4.677 3.799 -0.311 1.00 53.32 C ATOM 16 O VAL A 2 5.009 3.176 0.697 1.00 42.30 O ATOM 17 CB VAL A 2 2.286 4.445 -0.624 1.00 24.01 C ATOM 18 CG1 VAL A 2 2.582 5.838 -1.160 1.00 11.12 C ATOM 19 CG2 VAL A 2 0.924 3.961 -1.098 1.00 61.25 C ATOM 0 H VAL A 2 2.578 1.917 0.118 1.00 73.10 H new ATOM 0 HA VAL A 2 3.553 3.550 -2.123 1.00 51.23 H new ATOM 0 HB VAL A 2 2.269 4.496 0.465 1.00 24.01 H new ATOM 0 HG11 VAL A 2 1.793 6.523 -0.849 1.00 11.12 H new ATOM 0 HG12 VAL A 2 3.538 6.184 -0.767 1.00 11.12 H new ATOM 0 HG13 VAL A 2 2.627 5.807 -2.249 1.00 11.12 H new ATOM 0 HG21 VAL A 2 0.157 4.671 -0.788 1.00 61.25 H new ATOM 0 HG22 VAL A 2 0.925 3.879 -2.185 1.00 61.25 H new ATOM 0 HG23 VAL A 2 0.712 2.985 -0.661 1.00 61.25 H new ATOM 29 N ILE A 3 5.397 4.794 -0.818 1.00 41.11 N ATOM 30 CA ILE A 3 6.649 5.220 -0.204 1.00 52.25 C ATOM 31 C ILE A 3 6.627 6.712 0.109 1.00 71.02 C ATOM 32 O ILE A 3 6.356 7.537 -0.764 1.00 63.03 O ATOM 33 CB ILE A 3 7.854 4.916 -1.114 1.00 11.00 C ATOM 34 CG1 ILE A 3 7.962 3.411 -1.367 1.00 5.34 C ATOM 35 CG2 ILE A 3 9.135 5.448 -0.490 1.00 2.32 C ATOM 36 CD1 ILE A 3 9.054 3.040 -2.347 1.00 75.54 C ATOM 0 H ILE A 3 5.135 5.320 -1.652 1.00 41.11 H new ATOM 0 HA ILE A 3 6.753 4.657 0.724 1.00 52.25 H new ATOM 0 HB ILE A 3 7.705 5.416 -2.071 1.00 11.00 H new ATOM 0 HG12 ILE A 3 8.147 2.904 -0.420 1.00 5.34 H new ATOM 0 HG13 ILE A 3 7.007 3.045 -1.744 1.00 5.34 H new ATOM 0 HG21 ILE A 3 9.978 5.226 -1.144 1.00 2.32 H new ATOM 0 HG22 ILE A 3 9.054 6.527 -0.356 1.00 2.32 H new ATOM 0 HG23 ILE A 3 9.292 4.973 0.478 1.00 2.32 H new ATOM 0 HD11 ILE A 3 9.073 1.958 -2.478 1.00 75.54 H new ATOM 0 HD12 ILE A 3 8.860 3.519 -3.307 1.00 75.54 H new ATOM 0 HD13 ILE A 3 10.017 3.376 -1.963 1.00 75.54 H new ATOM 48 N ILE A 4 6.915 7.053 1.361 1.00 64.11 N ATOM 49 CA ILE A 4 6.931 8.445 1.789 1.00 13.22 C ATOM 50 C ILE A 4 8.216 9.141 1.351 1.00 21.54 C ATOM 51 O ILE A 4 9.280 8.926 1.932 1.00 25.43 O ATOM 52 CB ILE A 4 6.790 8.566 3.318 1.00 12.21 C ATOM 53 CG1 ILE A 4 5.431 8.031 3.770 1.00 35.04 C ATOM 54 CG2 ILE A 4 6.968 10.014 3.753 1.00 73.43 C ATOM 55 CD1 ILE A 4 5.252 8.029 5.272 1.00 32.20 C ATOM 0 H ILE A 4 7.140 6.383 2.096 1.00 64.11 H new ATOM 0 HA ILE A 4 6.078 8.930 1.314 1.00 13.22 H new ATOM 0 HB ILE A 4 7.569 7.967 3.789 1.00 12.21 H new ATOM 0 HG12 ILE A 4 4.644 8.635 3.319 1.00 35.04 H new ATOM 0 HG13 ILE A 4 5.307 7.015 3.396 1.00 35.04 H new ATOM 0 HG21 ILE A 4 6.866 10.084 4.836 1.00 73.43 H new ATOM 0 HG22 ILE A 4 7.958 10.363 3.459 1.00 73.43 H new ATOM 0 HG23 ILE A 4 6.208 10.633 3.276 1.00 73.43 H new ATOM 0 HD11 ILE A 4 4.266 7.637 5.520 1.00 32.20 H new ATOM 0 HD12 ILE A 4 6.017 7.402 5.729 1.00 32.20 H new ATOM 0 HD13 ILE A 4 5.344 9.047 5.651 1.00 32.20 H new ATOM 67 N LYS A 5 8.111 9.976 0.324 1.00 74.05 N ATOM 68 CA LYS A 5 9.263 10.705 -0.191 1.00 14.23 C ATOM 69 C LYS A 5 9.042 12.212 -0.091 1.00 44.14 C ATOM 70 O LYS A 5 7.922 12.708 -0.210 1.00 54.43 O ATOM 71 CB LYS A 5 9.532 10.314 -1.645 1.00 45.44 C ATOM 72 CG LYS A 5 10.271 8.996 -1.794 1.00 70.21 C ATOM 73 CD LYS A 5 9.772 8.209 -2.994 1.00 63.24 C ATOM 74 CE LYS A 5 10.644 6.992 -3.264 1.00 72.10 C ATOM 75 NZ LYS A 5 10.688 6.651 -4.713 1.00 74.20 N ATOM 0 H LYS A 5 7.238 10.165 -0.169 1.00 74.05 H new ATOM 0 HA LYS A 5 10.129 10.441 0.416 1.00 14.23 H new ATOM 0 HB2 LYS A 5 8.583 10.251 -2.177 1.00 45.44 H new ATOM 0 HB3 LYS A 5 10.113 11.103 -2.123 1.00 45.44 H new ATOM 0 HG2 LYS A 5 11.339 9.187 -1.901 1.00 70.21 H new ATOM 0 HG3 LYS A 5 10.143 8.402 -0.889 1.00 70.21 H new ATOM 0 HD2 LYS A 5 8.744 7.890 -2.820 1.00 63.24 H new ATOM 0 HD3 LYS A 5 9.761 8.853 -3.874 1.00 63.24 H new ATOM 0 HE2 LYS A 5 11.655 7.183 -2.905 1.00 72.10 H new ATOM 0 HE3 LYS A 5 10.262 6.140 -2.702 1.00 72.10 H new ATOM 0 HZ1 LYS A 5 10.703 5.617 -4.826 1.00 74.20 H new ATOM 0 HZ2 LYS A 5 9.847 7.039 -5.187 1.00 74.20 H new ATOM 0 HZ3 LYS A 5 11.544 7.059 -5.140 1.00 74.20 H new ATOM 89 N PRO A 6 10.134 12.958 0.130 1.00 24.34 N ATOM 90 CA PRO A 6 10.085 14.418 0.249 1.00 50.01 C ATOM 91 C PRO A 6 9.771 15.097 -1.080 1.00 44.00 C ATOM 92 O PRO A 6 10.219 14.650 -2.136 1.00 70.14 O ATOM 93 CB PRO A 6 11.497 14.784 0.716 1.00 73.33 C ATOM 94 CG PRO A 6 12.357 13.669 0.231 1.00 45.15 C ATOM 95 CD PRO A 6 11.502 12.433 0.282 1.00 24.01 C ATOM 0 HA PRO A 6 9.298 14.745 0.929 1.00 50.01 H new ATOM 0 HB2 PRO A 6 11.816 15.740 0.300 1.00 73.33 H new ATOM 0 HB3 PRO A 6 11.544 14.877 1.801 1.00 73.33 H new ATOM 0 HG2 PRO A 6 12.707 13.859 -0.783 1.00 45.15 H new ATOM 0 HG3 PRO A 6 13.242 13.558 0.858 1.00 45.15 H new ATOM 0 HD2 PRO A 6 11.756 11.736 -0.516 1.00 24.01 H new ATOM 0 HD3 PRO A 6 11.625 11.898 1.224 1.00 24.01 H new ATOM 103 N GLN A 7 9.001 16.178 -1.020 1.00 11.44 N ATOM 104 CA GLN A 7 8.629 16.918 -2.220 1.00 31.21 C ATOM 105 C GLN A 7 9.752 17.852 -2.655 1.00 3.41 C ATOM 106 O GLN A 7 9.624 18.577 -3.641 1.00 44.52 O ATOM 107 CB GLN A 7 7.350 17.721 -1.973 1.00 1.01 C ATOM 108 CG GLN A 7 7.507 18.807 -0.921 1.00 11.02 C ATOM 109 CD GLN A 7 7.222 20.192 -1.466 1.00 11.22 C ATOM 110 OE1 GLN A 7 7.650 20.539 -2.567 1.00 63.31 O ATOM 111 NE2 GLN A 7 6.497 20.995 -0.695 1.00 73.31 N ATOM 0 H GLN A 7 8.623 16.561 -0.154 1.00 11.44 H new ATOM 0 HA GLN A 7 8.451 16.198 -3.019 1.00 31.21 H new ATOM 0 HB2 GLN A 7 7.031 18.178 -2.910 1.00 1.01 H new ATOM 0 HB3 GLN A 7 6.557 17.040 -1.664 1.00 1.01 H new ATOM 0 HG2 GLN A 7 6.833 18.602 -0.089 1.00 11.02 H new ATOM 0 HG3 GLN A 7 8.522 18.779 -0.524 1.00 11.02 H new ATOM 0 HE21 GLN A 7 6.162 20.667 0.211 1.00 73.31 H new ATOM 0 HE22 GLN A 7 6.275 21.940 -1.009 1.00 73.31 H new ATOM 120 N VAL A 8 10.855 17.829 -1.913 1.00 11.01 N ATOM 121 CA VAL A 8 12.003 18.674 -2.222 1.00 62.42 C ATOM 122 C VAL A 8 13.311 17.974 -1.868 1.00 32.03 C ATOM 123 O VAL A 8 13.312 16.927 -1.222 1.00 34.11 O ATOM 124 CB VAL A 8 11.932 20.016 -1.471 1.00 55.53 C ATOM 125 CG1 VAL A 8 10.622 20.728 -1.773 1.00 71.23 C ATOM 126 CG2 VAL A 8 12.096 19.799 0.026 1.00 63.14 C ATOM 0 H VAL A 8 10.978 17.234 -1.093 1.00 11.01 H new ATOM 0 HA VAL A 8 11.975 18.866 -3.295 1.00 62.42 H new ATOM 0 HB VAL A 8 12.750 20.648 -1.815 1.00 55.53 H new ATOM 0 HG11 VAL A 8 10.590 21.675 -1.234 1.00 71.23 H new ATOM 0 HG12 VAL A 8 10.550 20.918 -2.844 1.00 71.23 H new ATOM 0 HG13 VAL A 8 9.787 20.102 -1.458 1.00 71.23 H new ATOM 0 HG21 VAL A 8 12.043 20.758 0.541 1.00 63.14 H new ATOM 0 HG22 VAL A 8 11.300 19.148 0.389 1.00 63.14 H new ATOM 0 HG23 VAL A 8 13.062 19.335 0.223 1.00 63.14 H new ATOM 136 N SER A 9 14.424 18.562 -2.294 1.00 62.03 N ATOM 137 CA SER A 9 15.740 17.994 -2.024 1.00 41.41 C ATOM 138 C SER A 9 16.565 18.929 -1.146 1.00 31.14 C ATOM 139 O SER A 9 16.803 20.083 -1.499 1.00 52.41 O ATOM 140 CB SER A 9 16.480 17.722 -3.335 1.00 12.21 C ATOM 141 OG SER A 9 15.591 17.257 -4.335 1.00 62.22 O ATOM 0 H SER A 9 14.441 19.431 -2.827 1.00 62.03 H new ATOM 0 HA SER A 9 15.600 17.053 -1.492 1.00 41.41 H new ATOM 0 HB2 SER A 9 16.970 18.634 -3.675 1.00 12.21 H new ATOM 0 HB3 SER A 9 17.263 16.982 -3.168 1.00 12.21 H new ATOM 0 HG SER A 9 16.088 17.092 -5.163 1.00 62.22 H new ATOM 147 N GLY A 10 16.999 18.421 0.004 1.00 22.32 N ATOM 148 CA GLY A 10 17.794 19.223 0.917 1.00 72.43 C ATOM 149 C GLY A 10 18.513 18.381 1.952 1.00 3.12 C ATOM 150 O GLY A 10 19.343 17.539 1.610 1.00 21.40 O ATOM 0 H GLY A 10 16.814 17.469 0.320 1.00 22.32 H new ATOM 0 HA2 GLY A 10 18.525 19.797 0.349 1.00 72.43 H new ATOM 0 HA3 GLY A 10 17.148 19.941 1.422 1.00 72.43 H new ATOM 154 N VAL A 11 18.196 18.610 3.223 1.00 70.30 N ATOM 155 CA VAL A 11 18.819 17.867 4.312 1.00 75.55 C ATOM 156 C VAL A 11 17.844 17.664 5.466 1.00 20.32 C ATOM 157 O VAL A 11 17.127 18.587 5.856 1.00 64.23 O ATOM 158 CB VAL A 11 20.076 18.586 4.835 1.00 11.14 C ATOM 159 CG1 VAL A 11 20.774 17.742 5.890 1.00 63.31 C ATOM 160 CG2 VAL A 11 21.020 18.911 3.688 1.00 63.32 C ATOM 0 H VAL A 11 17.512 19.304 3.523 1.00 70.30 H new ATOM 0 HA VAL A 11 19.107 16.896 3.909 1.00 75.55 H new ATOM 0 HB VAL A 11 19.770 19.524 5.299 1.00 11.14 H new ATOM 0 HG11 VAL A 11 21.660 18.266 6.248 1.00 63.31 H new ATOM 0 HG12 VAL A 11 20.094 17.567 6.724 1.00 63.31 H new ATOM 0 HG13 VAL A 11 21.069 16.787 5.455 1.00 63.31 H new ATOM 0 HG21 VAL A 11 21.903 19.419 4.076 1.00 63.32 H new ATOM 0 HG22 VAL A 11 21.321 17.988 3.192 1.00 63.32 H new ATOM 0 HG23 VAL A 11 20.514 19.559 2.973 1.00 63.32 H new ATOM 170 N ILE A 12 17.824 16.452 6.010 1.00 22.12 N ATOM 171 CA ILE A 12 16.939 16.128 7.122 1.00 14.40 C ATOM 172 C ILE A 12 17.169 17.069 8.300 1.00 71.10 C ATOM 173 O ILE A 12 18.299 17.473 8.573 1.00 21.02 O ATOM 174 CB ILE A 12 17.134 14.676 7.594 1.00 21.10 C ATOM 175 CG1 ILE A 12 16.886 13.703 6.438 1.00 12.53 C ATOM 176 CG2 ILE A 12 16.207 14.368 8.760 1.00 4.13 C ATOM 177 CD1 ILE A 12 15.462 13.720 5.929 1.00 43.41 C ATOM 0 H ILE A 12 18.411 15.678 5.699 1.00 22.12 H new ATOM 0 HA ILE A 12 15.919 16.248 6.757 1.00 14.40 H new ATOM 0 HB ILE A 12 18.163 14.555 7.932 1.00 21.10 H new ATOM 0 HG12 ILE A 12 17.560 13.948 5.617 1.00 12.53 H new ATOM 0 HG13 ILE A 12 17.135 12.693 6.764 1.00 12.53 H new ATOM 0 HG21 ILE A 12 16.357 13.338 9.082 1.00 4.13 H new ATOM 0 HG22 ILE A 12 16.427 15.042 9.588 1.00 4.13 H new ATOM 0 HG23 ILE A 12 15.172 14.503 8.447 1.00 4.13 H new ATOM 0 HD11 ILE A 12 15.359 13.007 5.111 1.00 43.41 H new ATOM 0 HD12 ILE A 12 14.784 13.446 6.737 1.00 43.41 H new ATOM 0 HD13 ILE A 12 15.215 14.720 5.572 1.00 43.41 H new ATOM 189 N VAL A 13 16.090 17.413 8.995 1.00 50.30 N ATOM 190 CA VAL A 13 16.174 18.304 10.146 1.00 32.05 C ATOM 191 C VAL A 13 15.635 17.631 11.403 1.00 33.42 C ATOM 192 O VAL A 13 16.158 17.828 12.498 1.00 4.12 O ATOM 193 CB VAL A 13 15.396 19.612 9.903 1.00 24.11 C ATOM 194 CG1 VAL A 13 15.891 20.709 10.832 1.00 62.33 C ATOM 195 CG2 VAL A 13 15.516 20.039 8.448 1.00 2.41 C ATOM 0 H VAL A 13 15.147 17.088 8.781 1.00 50.30 H new ATOM 0 HA VAL A 13 17.229 18.539 10.287 1.00 32.05 H new ATOM 0 HB VAL A 13 14.343 19.434 10.121 1.00 24.11 H new ATOM 0 HG11 VAL A 13 15.330 21.625 10.645 1.00 62.33 H new ATOM 0 HG12 VAL A 13 15.748 20.401 11.868 1.00 62.33 H new ATOM 0 HG13 VAL A 13 16.950 20.889 10.650 1.00 62.33 H new ATOM 0 HG21 VAL A 13 14.961 20.964 8.293 1.00 2.41 H new ATOM 0 HG22 VAL A 13 16.565 20.200 8.201 1.00 2.41 H new ATOM 0 HG23 VAL A 13 15.108 19.259 7.805 1.00 2.41 H new ATOM 205 N ASN A 14 14.583 16.836 11.236 1.00 21.10 N ATOM 206 CA ASN A 14 13.971 16.132 12.358 1.00 22.13 C ATOM 207 C ASN A 14 13.058 15.013 11.866 1.00 1.41 C ATOM 208 O ASN A 14 12.759 14.919 10.675 1.00 52.40 O ATOM 209 CB ASN A 14 13.175 17.109 13.226 1.00 4.13 C ATOM 210 CG ASN A 14 13.487 16.955 14.703 1.00 51.14 C ATOM 211 OD1 ASN A 14 14.623 16.669 15.082 1.00 24.23 O ATOM 212 ND2 ASN A 14 12.477 17.144 15.544 1.00 44.23 N ATOM 0 H ASN A 14 14.137 16.663 10.335 1.00 21.10 H new ATOM 0 HA ASN A 14 14.768 15.690 12.956 1.00 22.13 H new ATOM 0 HB2 ASN A 14 13.396 18.130 12.915 1.00 4.13 H new ATOM 0 HB3 ASN A 14 12.109 16.950 13.064 1.00 4.13 H new ATOM 0 HD21 ASN A 14 12.626 17.053 16.549 1.00 44.23 H new ATOM 0 HD22 ASN A 14 11.552 17.380 15.185 1.00 44.23 H new ATOM 219 N LYS A 15 12.619 14.166 12.790 1.00 20.34 N ATOM 220 CA LYS A 15 11.738 13.053 12.452 1.00 3.22 C ATOM 221 C LYS A 15 10.793 12.738 13.607 1.00 33.21 C ATOM 222 O LYS A 15 11.195 12.141 14.607 1.00 73.45 O ATOM 223 CB LYS A 15 12.563 11.813 12.101 1.00 60.32 C ATOM 224 CG LYS A 15 13.586 11.441 13.161 1.00 75.12 C ATOM 225 CD LYS A 15 14.952 11.179 12.550 1.00 72.44 C ATOM 226 CE LYS A 15 15.064 9.755 12.028 1.00 72.42 C ATOM 227 NZ LYS A 15 16.483 9.328 11.880 1.00 21.51 N ATOM 0 H LYS A 15 12.859 14.228 13.780 1.00 20.34 H new ATOM 0 HA LYS A 15 11.142 13.343 11.587 1.00 3.22 H new ATOM 0 HB2 LYS A 15 11.889 10.970 11.947 1.00 60.32 H new ATOM 0 HB3 LYS A 15 13.078 11.985 11.156 1.00 60.32 H new ATOM 0 HG2 LYS A 15 13.662 12.245 13.893 1.00 75.12 H new ATOM 0 HG3 LYS A 15 13.250 10.553 13.697 1.00 75.12 H new ATOM 0 HD2 LYS A 15 15.128 11.881 11.735 1.00 72.44 H new ATOM 0 HD3 LYS A 15 15.726 11.356 13.297 1.00 72.44 H new ATOM 0 HE2 LYS A 15 14.550 9.077 12.709 1.00 72.42 H new ATOM 0 HE3 LYS A 15 14.560 9.681 11.064 1.00 72.42 H new ATOM 0 HZ1 LYS A 15 16.534 8.510 11.240 1.00 21.51 H new ATOM 0 HZ2 LYS A 15 17.042 10.112 11.486 1.00 21.51 H new ATOM 0 HZ3 LYS A 15 16.865 9.064 12.811 1.00 21.51 H new ATOM 241 N LEU A 16 9.536 13.141 13.462 1.00 14.34 N ATOM 242 CA LEU A 16 8.532 12.901 14.493 1.00 40.00 C ATOM 243 C LEU A 16 7.725 11.644 14.185 1.00 63.02 C ATOM 244 O LEU A 16 6.494 11.663 14.203 1.00 14.14 O ATOM 245 CB LEU A 16 7.596 14.105 14.612 1.00 13.03 C ATOM 246 CG LEU A 16 8.201 15.464 14.257 1.00 25.42 C ATOM 247 CD1 LEU A 16 7.147 16.556 14.341 1.00 71.31 C ATOM 248 CD2 LEU A 16 9.374 15.781 15.174 1.00 50.13 C ATOM 0 H LEU A 16 9.187 13.635 12.641 1.00 14.34 H new ATOM 0 HA LEU A 16 9.049 12.756 15.441 1.00 40.00 H new ATOM 0 HB2 LEU A 16 6.734 13.934 13.968 1.00 13.03 H new ATOM 0 HB3 LEU A 16 7.225 14.151 15.636 1.00 13.03 H new ATOM 0 HG LEU A 16 8.568 15.420 13.232 1.00 25.42 H new ATOM 0 HD11 LEU A 16 7.596 17.516 14.085 1.00 71.31 H new ATOM 0 HD12 LEU A 16 6.339 16.336 13.643 1.00 71.31 H new ATOM 0 HD13 LEU A 16 6.749 16.600 15.355 1.00 71.31 H new ATOM 0 HD21 LEU A 16 9.792 16.751 14.907 1.00 50.13 H new ATOM 0 HD22 LEU A 16 9.031 15.806 16.208 1.00 50.13 H new ATOM 0 HD23 LEU A 16 10.140 15.013 15.064 1.00 50.13 H new ATOM 260 N PHE A 17 8.427 10.551 13.902 1.00 52.34 N ATOM 261 CA PHE A 17 7.776 9.284 13.590 1.00 11.10 C ATOM 262 C PHE A 17 8.456 8.130 14.318 1.00 23.45 C ATOM 263 O PHE A 17 9.491 8.309 14.962 1.00 55.41 O ATOM 264 CB PHE A 17 7.797 9.033 12.081 1.00 53.31 C ATOM 265 CG PHE A 17 8.937 8.163 11.634 1.00 35.02 C ATOM 266 CD1 PHE A 17 10.236 8.647 11.632 1.00 62.55 C ATOM 267 CD2 PHE A 17 8.710 6.862 11.215 1.00 32.13 C ATOM 268 CE1 PHE A 17 11.287 7.848 11.221 1.00 10.44 C ATOM 269 CE2 PHE A 17 9.758 6.059 10.804 1.00 13.21 C ATOM 270 CZ PHE A 17 11.047 6.554 10.806 1.00 32.44 C ATOM 0 H PHE A 17 9.446 10.518 13.882 1.00 52.34 H new ATOM 0 HA PHE A 17 6.741 9.344 13.927 1.00 11.10 H new ATOM 0 HB2 PHE A 17 6.857 8.567 11.785 1.00 53.31 H new ATOM 0 HB3 PHE A 17 7.856 9.990 11.562 1.00 53.31 H new ATOM 0 HD1 PHE A 17 10.429 9.659 11.955 1.00 62.55 H new ATOM 0 HD2 PHE A 17 7.703 6.471 11.209 1.00 32.13 H new ATOM 0 HE1 PHE A 17 12.295 8.236 11.225 1.00 10.44 H new ATOM 0 HE2 PHE A 17 9.569 5.046 10.482 1.00 13.21 H new ATOM 0 HZ PHE A 17 11.867 5.929 10.483 1.00 32.44 H new ATOM 280 N LYS A 18 7.868 6.943 14.213 1.00 22.23 N ATOM 281 CA LYS A 18 8.416 5.757 14.861 1.00 24.41 C ATOM 282 C LYS A 18 8.548 4.606 13.867 1.00 14.45 C ATOM 283 O LYS A 18 7.894 4.596 12.826 1.00 51.34 O ATOM 284 CB LYS A 18 7.528 5.333 16.032 1.00 1.43 C ATOM 285 CG LYS A 18 7.775 6.129 17.302 1.00 13.13 C ATOM 286 CD LYS A 18 8.830 5.473 18.176 1.00 0.32 C ATOM 287 CE LYS A 18 8.475 5.576 19.651 1.00 21.22 C ATOM 288 NZ LYS A 18 9.682 5.782 20.499 1.00 52.31 N ATOM 0 H LYS A 18 7.011 6.777 13.685 1.00 22.23 H new ATOM 0 HA LYS A 18 9.408 6.006 15.237 1.00 24.41 H new ATOM 0 HB2 LYS A 18 6.483 5.442 15.742 1.00 1.43 H new ATOM 0 HB3 LYS A 18 7.693 4.275 16.238 1.00 1.43 H new ATOM 0 HG2 LYS A 18 8.093 7.139 17.043 1.00 13.13 H new ATOM 0 HG3 LYS A 18 6.844 6.221 17.861 1.00 13.13 H new ATOM 0 HD2 LYS A 18 8.933 4.424 17.898 1.00 0.32 H new ATOM 0 HD3 LYS A 18 9.796 5.946 17.999 1.00 0.32 H new ATOM 0 HE2 LYS A 18 7.781 6.403 19.801 1.00 21.22 H new ATOM 0 HE3 LYS A 18 7.961 4.668 19.965 1.00 21.22 H new ATOM 0 HZ1 LYS A 18 9.398 5.847 21.497 1.00 52.31 H new ATOM 0 HZ2 LYS A 18 10.334 4.981 20.376 1.00 52.31 H new ATOM 0 HZ3 LYS A 18 10.159 6.662 20.217 1.00 52.31 H new ATOM 302 N ALA A 19 9.397 3.639 14.199 1.00 62.31 N ATOM 303 CA ALA A 19 9.611 2.483 13.337 1.00 62.14 C ATOM 304 C ALA A 19 8.600 1.381 13.636 1.00 62.24 C ATOM 305 O ALA A 19 8.689 0.703 14.659 1.00 14.22 O ATOM 306 CB ALA A 19 11.030 1.958 13.500 1.00 32.24 C ATOM 0 H ALA A 19 9.947 3.633 15.058 1.00 62.31 H new ATOM 0 HA ALA A 19 9.469 2.800 12.304 1.00 62.14 H new ATOM 0 HB1 ALA A 19 11.175 1.095 12.850 1.00 32.24 H new ATOM 0 HB2 ALA A 19 11.740 2.739 13.230 1.00 32.24 H new ATOM 0 HB3 ALA A 19 11.192 1.663 14.537 1.00 32.24 H new ATOM 312 N GLY A 20 7.637 1.206 12.735 1.00 14.33 N ATOM 313 CA GLY A 20 6.623 0.186 12.921 1.00 54.41 C ATOM 314 C GLY A 20 5.364 0.731 13.567 1.00 53.13 C ATOM 315 O GLY A 20 4.572 -0.024 14.133 1.00 51.24 O ATOM 0 H GLY A 20 7.542 1.753 11.880 1.00 14.33 H new ATOM 0 HA2 GLY A 20 6.372 -0.252 11.955 1.00 54.41 H new ATOM 0 HA3 GLY A 20 7.027 -0.615 13.539 1.00 54.41 H new ATOM 319 N ASP A 21 5.180 2.044 13.485 1.00 12.13 N ATOM 320 CA ASP A 21 4.009 2.689 14.067 1.00 21.13 C ATOM 321 C ASP A 21 3.045 3.149 12.979 1.00 74.33 C ATOM 322 O ASP A 21 3.202 2.803 11.807 1.00 23.14 O ATOM 323 CB ASP A 21 4.432 3.882 14.928 1.00 22.52 C ATOM 324 CG ASP A 21 3.909 3.784 16.348 1.00 14.32 C ATOM 325 OD1 ASP A 21 4.397 2.918 17.102 1.00 62.23 O ATOM 326 OD2 ASP A 21 3.012 4.577 16.704 1.00 31.54 O ATOM 0 H ASP A 21 5.827 2.682 13.021 1.00 12.13 H new ATOM 0 HA ASP A 21 3.498 1.960 14.696 1.00 21.13 H new ATOM 0 HB2 ASP A 21 5.520 3.945 14.948 1.00 22.52 H new ATOM 0 HB3 ASP A 21 4.068 4.803 14.472 1.00 22.52 H new ATOM 331 N LYS A 22 2.044 3.931 13.373 1.00 62.40 N ATOM 332 CA LYS A 22 1.053 4.438 12.431 1.00 31.13 C ATOM 333 C LYS A 22 1.205 5.944 12.241 1.00 20.24 C ATOM 334 O LYS A 22 1.929 6.604 12.986 1.00 4.33 O ATOM 335 CB LYS A 22 -0.359 4.115 12.924 1.00 55.55 C ATOM 336 CG LYS A 22 -0.815 2.706 12.585 1.00 41.42 C ATOM 337 CD LYS A 22 -2.318 2.640 12.377 1.00 73.12 C ATOM 338 CE LYS A 22 -3.053 2.420 13.690 1.00 75.14 C ATOM 339 NZ LYS A 22 -4.230 1.523 13.523 1.00 72.41 N ATOM 0 H LYS A 22 1.898 4.227 14.338 1.00 62.40 H new ATOM 0 HA LYS A 22 1.217 3.950 11.470 1.00 31.13 H new ATOM 0 HB2 LYS A 22 -0.397 4.250 14.005 1.00 55.55 H new ATOM 0 HB3 LYS A 22 -1.059 4.829 12.489 1.00 55.55 H new ATOM 0 HG2 LYS A 22 -0.307 2.366 11.683 1.00 41.42 H new ATOM 0 HG3 LYS A 22 -0.528 2.027 13.388 1.00 41.42 H new ATOM 0 HD2 LYS A 22 -2.664 3.565 11.916 1.00 73.12 H new ATOM 0 HD3 LYS A 22 -2.556 1.831 11.686 1.00 73.12 H new ATOM 0 HE2 LYS A 22 -2.369 1.989 14.421 1.00 75.14 H new ATOM 0 HE3 LYS A 22 -3.382 3.380 14.088 1.00 75.14 H new ATOM 0 HZ1 LYS A 22 -4.704 1.398 14.440 1.00 72.41 H new ATOM 0 HZ2 LYS A 22 -4.895 1.946 12.844 1.00 72.41 H new ATOM 0 HZ3 LYS A 22 -3.914 0.598 13.168 1.00 72.41 H new ATOM 353 N VAL A 23 0.516 6.482 11.240 1.00 41.42 N ATOM 354 CA VAL A 23 0.573 7.911 10.954 1.00 73.44 C ATOM 355 C VAL A 23 -0.818 8.471 10.678 1.00 52.32 C ATOM 356 O VAL A 23 -1.765 7.723 10.436 1.00 64.45 O ATOM 357 CB VAL A 23 1.482 8.205 9.746 1.00 52.21 C ATOM 358 CG1 VAL A 23 2.934 7.911 10.087 1.00 61.22 C ATOM 359 CG2 VAL A 23 1.036 7.401 8.535 1.00 30.43 C ATOM 0 H VAL A 23 -0.088 5.950 10.613 1.00 41.42 H new ATOM 0 HA VAL A 23 0.988 8.395 11.838 1.00 73.44 H new ATOM 0 HB VAL A 23 1.399 9.264 9.500 1.00 52.21 H new ATOM 0 HG11 VAL A 23 3.561 8.125 9.222 1.00 61.22 H new ATOM 0 HG12 VAL A 23 3.245 8.536 10.924 1.00 61.22 H new ATOM 0 HG13 VAL A 23 3.038 6.861 10.360 1.00 61.22 H new ATOM 0 HG21 VAL A 23 1.690 7.621 7.691 1.00 30.43 H new ATOM 0 HG22 VAL A 23 1.088 6.337 8.766 1.00 30.43 H new ATOM 0 HG23 VAL A 23 0.011 7.667 8.279 1.00 30.43 H new ATOM 369 N LYS A 24 -0.935 9.794 10.716 1.00 71.43 N ATOM 370 CA LYS A 24 -2.210 10.457 10.469 1.00 0.22 C ATOM 371 C LYS A 24 -2.168 11.248 9.165 1.00 71.32 C ATOM 372 O LYS A 24 -1.154 11.862 8.831 1.00 1.15 O ATOM 373 CB LYS A 24 -2.557 11.390 11.631 1.00 75.31 C ATOM 374 CG LYS A 24 -3.766 10.939 12.432 1.00 11.13 C ATOM 375 CD LYS A 24 -4.996 11.768 12.100 1.00 72.34 C ATOM 376 CE LYS A 24 -5.489 11.491 10.688 1.00 74.21 C ATOM 377 NZ LYS A 24 -6.977 11.480 10.612 1.00 10.34 N ATOM 0 H LYS A 24 -0.162 10.429 10.916 1.00 71.43 H new ATOM 0 HA LYS A 24 -2.979 9.689 10.384 1.00 0.22 H new ATOM 0 HB2 LYS A 24 -1.697 11.463 12.297 1.00 75.31 H new ATOM 0 HB3 LYS A 24 -2.743 12.390 11.240 1.00 75.31 H new ATOM 0 HG2 LYS A 24 -3.968 9.888 12.226 1.00 11.13 H new ATOM 0 HG3 LYS A 24 -3.549 11.019 13.497 1.00 11.13 H new ATOM 0 HD2 LYS A 24 -5.789 11.546 12.814 1.00 72.34 H new ATOM 0 HD3 LYS A 24 -4.761 12.827 12.203 1.00 72.34 H new ATOM 0 HE2 LYS A 24 -5.096 12.250 10.011 1.00 74.21 H new ATOM 0 HE3 LYS A 24 -5.101 10.530 10.350 1.00 74.21 H new ATOM 0 HZ1 LYS A 24 -7.273 11.288 9.634 1.00 10.34 H new ATOM 0 HZ2 LYS A 24 -7.351 10.739 11.239 1.00 10.34 H new ATOM 0 HZ3 LYS A 24 -7.347 12.405 10.910 1.00 10.34 H new ATOM 391 N LYS A 25 -3.275 11.229 8.431 1.00 33.22 N ATOM 392 CA LYS A 25 -3.366 11.946 7.164 1.00 74.41 C ATOM 393 C LYS A 25 -3.074 13.430 7.357 1.00 12.04 C ATOM 394 O LYS A 25 -3.970 14.215 7.664 1.00 75.42 O ATOM 395 CB LYS A 25 -4.757 11.764 6.551 1.00 71.13 C ATOM 396 CG LYS A 25 -5.041 12.711 5.398 1.00 34.44 C ATOM 397 CD LYS A 25 -6.319 12.332 4.668 1.00 41.21 C ATOM 398 CE LYS A 25 -6.022 11.674 3.329 1.00 12.55 C ATOM 399 NZ LYS A 25 -7.193 11.731 2.411 1.00 24.01 N ATOM 0 H LYS A 25 -4.122 10.725 8.692 1.00 33.22 H new ATOM 0 HA LYS A 25 -2.620 11.532 6.486 1.00 74.41 H new ATOM 0 HB2 LYS A 25 -4.859 10.737 6.200 1.00 71.13 H new ATOM 0 HB3 LYS A 25 -5.509 11.912 7.326 1.00 71.13 H new ATOM 0 HG2 LYS A 25 -5.125 13.730 5.775 1.00 34.44 H new ATOM 0 HG3 LYS A 25 -4.204 12.697 4.700 1.00 34.44 H new ATOM 0 HD2 LYS A 25 -6.905 11.652 5.287 1.00 41.21 H new ATOM 0 HD3 LYS A 25 -6.927 13.223 4.510 1.00 41.21 H new ATOM 0 HE2 LYS A 25 -5.170 12.169 2.862 1.00 12.55 H new ATOM 0 HE3 LYS A 25 -5.737 10.634 3.490 1.00 12.55 H new ATOM 0 HZ1 LYS A 25 -6.915 11.380 1.472 1.00 24.01 H new ATOM 0 HZ2 LYS A 25 -7.960 11.139 2.789 1.00 24.01 H new ATOM 0 HZ3 LYS A 25 -7.523 12.714 2.330 1.00 24.01 H new ATOM 413 N GLY A 26 -1.812 13.810 7.174 1.00 75.44 N ATOM 414 CA GLY A 26 -1.426 15.199 7.330 1.00 2.14 C ATOM 415 C GLY A 26 -0.636 15.442 8.601 1.00 33.31 C ATOM 416 O GLY A 26 -0.422 16.586 8.997 1.00 40.52 O ATOM 0 H GLY A 26 -1.051 13.180 6.921 1.00 75.44 H new ATOM 0 HA2 GLY A 26 -0.829 15.506 6.471 1.00 2.14 H new ATOM 0 HA3 GLY A 26 -2.320 15.823 7.337 1.00 2.14 H new ATOM 420 N GLN A 27 -0.205 14.361 9.243 1.00 21.42 N ATOM 421 CA GLN A 27 0.563 14.461 10.479 1.00 14.32 C ATOM 422 C GLN A 27 2.059 14.514 10.187 1.00 24.42 C ATOM 423 O GLN A 27 2.569 13.754 9.362 1.00 52.04 O ATOM 424 CB GLN A 27 0.251 13.279 11.396 1.00 30.14 C ATOM 425 CG GLN A 27 0.548 13.550 12.862 1.00 11.15 C ATOM 426 CD GLN A 27 1.543 12.568 13.447 1.00 31.14 C ATOM 427 OE1 GLN A 27 2.511 12.961 14.100 1.00 33.11 O ATOM 428 NE2 GLN A 27 1.309 11.281 13.218 1.00 43.21 N ATOM 0 H GLN A 27 -0.374 13.406 8.928 1.00 21.42 H new ATOM 0 HA GLN A 27 0.277 15.385 10.981 1.00 14.32 H new ATOM 0 HB2 GLN A 27 -0.801 13.016 11.290 1.00 30.14 H new ATOM 0 HB3 GLN A 27 0.830 12.415 11.070 1.00 30.14 H new ATOM 0 HG2 GLN A 27 0.937 14.563 12.969 1.00 11.15 H new ATOM 0 HG3 GLN A 27 -0.380 13.503 13.431 1.00 11.15 H new ATOM 0 HE21 GLN A 27 0.495 11.000 12.672 1.00 43.21 H new ATOM 0 HE22 GLN A 27 1.944 10.573 13.588 1.00 43.21 H new ATOM 437 N THR A 28 2.759 15.414 10.869 1.00 41.22 N ATOM 438 CA THR A 28 4.196 15.566 10.683 1.00 44.40 C ATOM 439 C THR A 28 4.936 14.281 11.036 1.00 15.02 C ATOM 440 O THR A 28 4.691 13.680 12.084 1.00 44.35 O ATOM 441 CB THR A 28 4.756 16.719 11.538 1.00 75.22 C ATOM 442 OG1 THR A 28 3.793 17.776 11.625 1.00 54.20 O ATOM 443 CG2 THR A 28 6.051 17.254 10.946 1.00 33.41 C ATOM 0 H THR A 28 2.353 16.049 11.556 1.00 41.22 H new ATOM 0 HA THR A 28 4.354 15.795 9.629 1.00 44.40 H new ATOM 0 HB THR A 28 4.964 16.333 12.536 1.00 75.22 H new ATOM 0 HG1 THR A 28 4.155 18.504 12.171 1.00 54.20 H new ATOM 0 HG21 THR A 28 6.427 18.067 11.567 1.00 33.41 H new ATOM 0 HG22 THR A 28 6.791 16.455 10.908 1.00 33.41 H new ATOM 0 HG23 THR A 28 5.865 17.624 9.938 1.00 33.41 H new ATOM 451 N LEU A 29 5.842 13.864 10.158 1.00 15.41 N ATOM 452 CA LEU A 29 6.619 12.650 10.379 1.00 71.34 C ATOM 453 C LEU A 29 8.108 12.914 10.190 1.00 41.31 C ATOM 454 O LEU A 29 8.943 12.380 10.921 1.00 52.40 O ATOM 455 CB LEU A 29 6.159 11.547 9.423 1.00 42.03 C ATOM 456 CG LEU A 29 4.647 11.376 9.272 1.00 4.44 C ATOM 457 CD1 LEU A 29 4.329 10.444 8.114 1.00 60.34 C ATOM 458 CD2 LEU A 29 4.038 10.852 10.564 1.00 12.23 C ATOM 0 H LEU A 29 6.056 14.349 9.287 1.00 15.41 H new ATOM 0 HA LEU A 29 6.455 12.325 11.406 1.00 71.34 H new ATOM 0 HB2 LEU A 29 6.582 11.748 8.439 1.00 42.03 H new ATOM 0 HB3 LEU A 29 6.579 10.601 9.763 1.00 42.03 H new ATOM 0 HG LEU A 29 4.210 12.351 9.057 1.00 4.44 H new ATOM 0 HD11 LEU A 29 3.249 10.334 8.022 1.00 60.34 H new ATOM 0 HD12 LEU A 29 4.732 10.860 7.191 1.00 60.34 H new ATOM 0 HD13 LEU A 29 4.778 9.468 8.298 1.00 60.34 H new ATOM 0 HD21 LEU A 29 2.961 10.736 10.438 1.00 12.23 H new ATOM 0 HD22 LEU A 29 4.480 9.886 10.809 1.00 12.23 H new ATOM 0 HD23 LEU A 29 4.235 11.557 11.371 1.00 12.23 H new ATOM 470 N PHE A 30 8.437 13.745 9.205 1.00 34.21 N ATOM 471 CA PHE A 30 9.826 14.082 8.920 1.00 12.32 C ATOM 472 C PHE A 30 9.979 15.576 8.654 1.00 4.30 C ATOM 473 O PHE A 30 8.995 16.315 8.613 1.00 23.12 O ATOM 474 CB PHE A 30 10.331 13.284 7.717 1.00 71.50 C ATOM 475 CG PHE A 30 10.378 11.801 7.957 1.00 2.44 C ATOM 476 CD1 PHE A 30 11.502 11.213 8.516 1.00 32.13 C ATOM 477 CD2 PHE A 30 9.300 10.998 7.625 1.00 25.31 C ATOM 478 CE1 PHE A 30 11.549 9.850 8.740 1.00 75.11 C ATOM 479 CE2 PHE A 30 9.341 9.634 7.847 1.00 61.24 C ATOM 480 CZ PHE A 30 10.467 9.059 8.404 1.00 42.43 C ATOM 0 H PHE A 30 7.759 14.197 8.591 1.00 34.21 H new ATOM 0 HA PHE A 30 10.423 13.823 9.794 1.00 12.32 H new ATOM 0 HB2 PHE A 30 9.686 13.485 6.861 1.00 71.50 H new ATOM 0 HB3 PHE A 30 11.329 13.633 7.453 1.00 71.50 H new ATOM 0 HD1 PHE A 30 12.351 11.827 8.779 1.00 32.13 H new ATOM 0 HD2 PHE A 30 8.418 11.442 7.188 1.00 25.31 H new ATOM 0 HE1 PHE A 30 12.430 9.404 9.177 1.00 75.11 H new ATOM 0 HE2 PHE A 30 8.493 9.018 7.585 1.00 61.24 H new ATOM 0 HZ PHE A 30 10.501 7.993 8.576 1.00 42.43 H new ATOM 490 N ILE A 31 11.222 16.015 8.475 1.00 74.45 N ATOM 491 CA ILE A 31 11.505 17.420 8.212 1.00 74.04 C ATOM 492 C ILE A 31 12.773 17.581 7.382 1.00 24.51 C ATOM 493 O ILE A 31 13.792 16.947 7.660 1.00 2.24 O ATOM 494 CB ILE A 31 11.656 18.218 9.520 1.00 15.24 C ATOM 495 CG1 ILE A 31 10.397 18.077 10.380 1.00 41.25 C ATOM 496 CG2 ILE A 31 11.936 19.683 9.219 1.00 44.01 C ATOM 497 CD1 ILE A 31 10.442 18.888 11.655 1.00 20.13 C ATOM 0 H ILE A 31 12.048 15.417 8.508 1.00 74.45 H new ATOM 0 HA ILE A 31 10.656 17.812 7.652 1.00 74.04 H new ATOM 0 HB ILE A 31 12.501 17.814 10.077 1.00 15.24 H new ATOM 0 HG12 ILE A 31 9.531 18.384 9.794 1.00 41.25 H new ATOM 0 HG13 ILE A 31 10.255 17.026 10.632 1.00 41.25 H new ATOM 0 HG21 ILE A 31 12.040 20.233 10.154 1.00 44.01 H new ATOM 0 HG22 ILE A 31 12.858 19.767 8.644 1.00 44.01 H new ATOM 0 HG23 ILE A 31 11.110 20.100 8.643 1.00 44.01 H new ATOM 0 HD11 ILE A 31 9.518 18.740 12.213 1.00 20.13 H new ATOM 0 HD12 ILE A 31 11.288 18.566 12.262 1.00 20.13 H new ATOM 0 HD13 ILE A 31 10.552 19.944 11.411 1.00 20.13 H new ATOM 509 N ILE A 32 12.704 18.430 6.363 1.00 11.12 N ATOM 510 CA ILE A 32 13.849 18.675 5.495 1.00 60.31 C ATOM 511 C ILE A 32 13.965 20.154 5.142 1.00 11.11 C ATOM 512 O ILE A 32 12.970 20.806 4.823 1.00 23.51 O ATOM 513 CB ILE A 32 13.755 17.855 4.195 1.00 61.43 C ATOM 514 CG1 ILE A 32 14.056 16.381 4.474 1.00 43.01 C ATOM 515 CG2 ILE A 32 14.712 18.408 3.148 1.00 33.54 C ATOM 516 CD1 ILE A 32 13.167 15.427 3.707 1.00 24.00 C ATOM 0 H ILE A 32 11.868 18.960 6.118 1.00 11.12 H new ATOM 0 HA ILE A 32 14.736 18.365 6.048 1.00 60.31 H new ATOM 0 HB ILE A 32 12.739 17.932 3.807 1.00 61.43 H new ATOM 0 HG12 ILE A 32 15.097 16.177 4.222 1.00 43.01 H new ATOM 0 HG13 ILE A 32 13.943 16.191 5.541 1.00 43.01 H new ATOM 0 HG21 ILE A 32 14.633 17.817 2.235 1.00 33.54 H new ATOM 0 HG22 ILE A 32 14.456 19.445 2.932 1.00 33.54 H new ATOM 0 HG23 ILE A 32 15.733 18.358 3.526 1.00 33.54 H new ATOM 0 HD11 ILE A 32 13.437 14.400 3.954 1.00 24.00 H new ATOM 0 HD12 ILE A 32 12.126 15.603 3.977 1.00 24.00 H new ATOM 0 HD13 ILE A 32 13.297 15.589 2.637 1.00 24.00 H new ATOM 528 N GLU A 33 15.186 20.677 5.199 1.00 53.02 N ATOM 529 CA GLU A 33 15.430 22.079 4.885 1.00 44.33 C ATOM 530 C GLU A 33 15.950 22.235 3.458 1.00 63.34 C ATOM 531 O GLU A 33 16.862 21.522 3.039 1.00 43.11 O ATOM 532 CB GLU A 33 16.434 22.679 5.872 1.00 42.05 C ATOM 533 CG GLU A 33 17.854 22.175 5.678 1.00 12.20 C ATOM 534 CD GLU A 33 18.628 22.100 6.980 1.00 65.31 C ATOM 535 OE1 GLU A 33 18.019 21.752 8.013 1.00 51.13 O ATOM 536 OE2 GLU A 33 19.844 22.388 6.965 1.00 35.22 O ATOM 0 H GLU A 33 16.020 20.151 5.459 1.00 53.02 H new ATOM 0 HA GLU A 33 14.484 22.613 4.970 1.00 44.33 H new ATOM 0 HB2 GLU A 33 16.426 23.764 5.771 1.00 42.05 H new ATOM 0 HB3 GLU A 33 16.112 22.451 6.888 1.00 42.05 H new ATOM 0 HG2 GLU A 33 17.826 21.187 5.219 1.00 12.20 H new ATOM 0 HG3 GLU A 33 18.378 22.833 4.985 1.00 12.20 H new ATOM 543 N GLN A 34 15.362 23.169 2.718 1.00 43.11 N ATOM 544 CA GLN A 34 15.765 23.416 1.338 1.00 31.14 C ATOM 545 C GLN A 34 15.475 24.859 0.937 1.00 23.00 C ATOM 546 O GLN A 34 15.143 25.693 1.779 1.00 22.42 O ATOM 547 CB GLN A 34 15.039 22.456 0.394 1.00 34.20 C ATOM 548 CG GLN A 34 13.590 22.836 0.136 1.00 40.51 C ATOM 549 CD GLN A 34 12.766 22.892 1.408 1.00 62.32 C ATOM 550 OE1 GLN A 34 12.826 21.827 2.200 1.00 30.42 O flip ATOM 551 NE2 GLN A 34 12.084 23.881 1.676 1.00 61.14 N flip ATOM 0 H GLN A 34 14.605 23.767 3.050 1.00 43.11 H new ATOM 0 HA GLN A 34 16.839 23.246 1.263 1.00 31.14 H new ATOM 0 HB2 GLN A 34 15.572 22.422 -0.556 1.00 34.20 H new ATOM 0 HB3 GLN A 34 15.073 21.451 0.815 1.00 34.20 H new ATOM 0 HG2 GLN A 34 13.555 23.807 -0.358 1.00 40.51 H new ATOM 0 HG3 GLN A 34 13.145 22.114 -0.549 1.00 40.51 H new ATOM 0 HE21 GLN A 34 12.068 24.677 1.039 1.00 61.14 H new ATOM 0 HE22 GLN A 34 11.535 23.904 2.536 1.00 61.14 H new ATOM 560 N ASP A 35 15.605 25.145 -0.353 1.00 43.44 N ATOM 561 CA ASP A 35 15.357 26.488 -0.866 1.00 70.13 C ATOM 562 C ASP A 35 15.147 26.462 -2.377 1.00 74.32 C ATOM 563 O ASP A 35 15.409 27.446 -3.067 1.00 15.21 O ATOM 564 CB ASP A 35 16.523 27.414 -0.518 1.00 4.42 C ATOM 565 CG ASP A 35 16.387 28.021 0.865 1.00 11.35 C ATOM 566 OD1 ASP A 35 15.247 28.341 1.263 1.00 14.41 O ATOM 567 OD2 ASP A 35 17.420 28.174 1.550 1.00 2.40 O ATOM 0 H ASP A 35 15.880 24.466 -1.063 1.00 43.44 H new ATOM 0 HA ASP A 35 14.449 26.867 -0.397 1.00 70.13 H new ATOM 0 HB2 ASP A 35 17.457 26.855 -0.576 1.00 4.42 H new ATOM 0 HB3 ASP A 35 16.583 28.212 -1.258 1.00 4.42 H new ATOM 572 N GLN A 36 14.673 25.328 -2.884 1.00 42.24 N ATOM 573 CA GLN A 36 14.429 25.173 -4.313 1.00 11.52 C ATOM 574 C GLN A 36 13.033 24.616 -4.570 1.00 61.03 C ATOM 575 O GLN A 36 12.655 24.365 -5.714 1.00 45.13 O ATOM 576 CB GLN A 36 15.482 24.254 -4.935 1.00 33.21 C ATOM 577 CG GLN A 36 15.444 22.834 -4.394 1.00 50.12 C ATOM 578 CD GLN A 36 14.362 21.992 -5.040 1.00 24.21 C ATOM 579 OE1 GLN A 36 14.399 21.728 -6.243 1.00 1.15 O ATOM 580 NE2 GLN A 36 13.390 21.562 -4.243 1.00 51.32 N ATOM 0 H GLN A 36 14.450 24.504 -2.326 1.00 42.24 H new ATOM 0 HA GLN A 36 14.497 26.157 -4.777 1.00 11.52 H new ATOM 0 HB2 GLN A 36 15.337 24.227 -6.015 1.00 33.21 H new ATOM 0 HB3 GLN A 36 16.471 24.676 -4.757 1.00 33.21 H new ATOM 0 HG2 GLN A 36 16.413 22.361 -4.557 1.00 50.12 H new ATOM 0 HG3 GLN A 36 15.281 22.864 -3.317 1.00 50.12 H new ATOM 0 HE21 GLN A 36 13.398 21.804 -3.252 1.00 51.32 H new ATOM 0 HE22 GLN A 36 12.635 20.990 -4.622 1.00 51.32 H new ATOM 589 N ALA A 37 12.271 24.425 -3.499 1.00 21.22 N ATOM 590 CA ALA A 37 10.916 23.898 -3.609 1.00 2.42 C ATOM 591 C ALA A 37 10.114 24.662 -4.657 1.00 41.12 C ATOM 592 O ALA A 37 9.743 24.109 -5.692 1.00 63.23 O ATOM 593 CB ALA A 37 10.216 23.957 -2.260 1.00 12.25 C ATOM 0 H ALA A 37 12.569 24.627 -2.545 1.00 21.22 H new ATOM 0 HA ALA A 37 10.982 22.857 -3.927 1.00 2.42 H new ATOM 0 HB1 ALA A 37 9.205 23.560 -2.357 1.00 12.25 H new ATOM 0 HB2 ALA A 37 10.772 23.362 -1.535 1.00 12.25 H new ATOM 0 HB3 ALA A 37 10.169 24.991 -1.920 1.00 12.25 H new ATOM 599 N SER A 38 9.850 25.935 -4.382 1.00 14.30 N ATOM 600 CA SER A 38 9.088 26.774 -5.300 1.00 30.31 C ATOM 601 C SER A 38 9.423 28.248 -5.095 1.00 44.33 C ATOM 602 O SER A 38 9.804 28.665 -4.002 1.00 32.45 O ATOM 603 CB SER A 38 7.587 26.549 -5.103 1.00 63.41 C ATOM 604 OG SER A 38 6.957 26.211 -6.327 1.00 12.44 O ATOM 0 H SER A 38 10.152 26.408 -3.531 1.00 14.30 H new ATOM 0 HA SER A 38 9.360 26.496 -6.318 1.00 30.31 H new ATOM 0 HB2 SER A 38 7.428 25.752 -4.376 1.00 63.41 H new ATOM 0 HB3 SER A 38 7.132 27.450 -4.693 1.00 63.41 H new ATOM 0 HG SER A 38 5.999 26.071 -6.174 1.00 12.44 H new ATOM 610 N LYS A 39 9.279 29.034 -6.157 1.00 61.11 N ATOM 611 CA LYS A 39 9.565 30.463 -6.096 1.00 62.41 C ATOM 612 C LYS A 39 8.688 31.149 -5.054 1.00 4.15 C ATOM 613 O LYS A 39 9.016 32.233 -4.570 1.00 62.31 O ATOM 614 CB LYS A 39 9.344 31.105 -7.468 1.00 4.54 C ATOM 615 CG LYS A 39 10.213 30.514 -8.564 1.00 3.42 C ATOM 616 CD LYS A 39 11.670 30.433 -8.139 1.00 14.25 C ATOM 617 CE LYS A 39 12.602 30.865 -9.261 1.00 2.32 C ATOM 618 NZ LYS A 39 13.082 29.704 -10.060 1.00 23.24 N ATOM 0 H LYS A 39 8.966 28.705 -7.070 1.00 61.11 H new ATOM 0 HA LYS A 39 10.608 30.589 -5.806 1.00 62.41 H new ATOM 0 HB2 LYS A 39 8.296 30.994 -7.747 1.00 4.54 H new ATOM 0 HB3 LYS A 39 9.543 32.174 -7.396 1.00 4.54 H new ATOM 0 HG2 LYS A 39 9.852 29.518 -8.818 1.00 3.42 H new ATOM 0 HG3 LYS A 39 10.129 31.123 -9.464 1.00 3.42 H new ATOM 0 HD2 LYS A 39 11.831 31.066 -7.266 1.00 14.25 H new ATOM 0 HD3 LYS A 39 11.907 29.412 -7.840 1.00 14.25 H new ATOM 0 HE2 LYS A 39 12.083 31.566 -9.915 1.00 2.32 H new ATOM 0 HE3 LYS A 39 13.457 31.394 -8.840 1.00 2.32 H new ATOM 0 HZ1 LYS A 39 13.714 30.039 -10.814 1.00 23.24 H new ATOM 0 HZ2 LYS A 39 13.599 29.047 -9.442 1.00 23.24 H new ATOM 0 HZ3 LYS A 39 12.268 29.213 -10.483 1.00 23.24 H new ATOM 632 N ASP A 40 7.574 30.511 -4.712 1.00 65.00 N ATOM 633 CA ASP A 40 6.653 31.060 -3.725 1.00 75.30 C ATOM 634 C ASP A 40 7.170 30.827 -2.309 1.00 23.14 C ATOM 635 O ASP A 40 6.555 31.257 -1.333 1.00 13.23 O ATOM 636 CB ASP A 40 5.267 30.430 -3.884 1.00 10.31 C ATOM 637 CG ASP A 40 4.333 31.289 -4.711 1.00 72.24 C ATOM 638 OD1 ASP A 40 4.559 31.404 -5.935 1.00 32.23 O ATOM 639 OD2 ASP A 40 3.375 31.847 -4.137 1.00 54.50 O ATOM 0 H ASP A 40 7.288 29.614 -5.104 1.00 65.00 H new ATOM 0 HA ASP A 40 6.578 32.134 -3.893 1.00 75.30 H new ATOM 0 HB2 ASP A 40 5.368 29.452 -4.354 1.00 10.31 H new ATOM 0 HB3 ASP A 40 4.830 30.267 -2.899 1.00 10.31 H new ATOM 644 N PHE A 41 8.304 30.143 -2.204 1.00 4.14 N ATOM 645 CA PHE A 41 8.905 29.852 -0.908 1.00 13.23 C ATOM 646 C PHE A 41 10.077 30.788 -0.628 1.00 51.21 C ATOM 647 O PHE A 41 9.938 31.774 0.095 1.00 21.14 O ATOM 648 CB PHE A 41 9.377 28.397 -0.856 1.00 32.33 C ATOM 649 CG PHE A 41 8.252 27.406 -0.754 1.00 1.24 C ATOM 650 CD1 PHE A 41 7.356 27.247 -1.797 1.00 74.10 C ATOM 651 CD2 PHE A 41 8.094 26.633 0.386 1.00 55.12 C ATOM 652 CE1 PHE A 41 6.320 26.336 -1.706 1.00 72.01 C ATOM 653 CE2 PHE A 41 7.061 25.721 0.482 1.00 33.21 C ATOM 654 CZ PHE A 41 6.173 25.571 -0.565 1.00 71.24 C ATOM 0 H PHE A 41 8.826 29.780 -3.002 1.00 4.14 H new ATOM 0 HA PHE A 41 8.146 30.009 -0.141 1.00 13.23 H new ATOM 0 HB2 PHE A 41 9.961 28.181 -1.750 1.00 32.33 H new ATOM 0 HB3 PHE A 41 10.042 28.269 -0.002 1.00 32.33 H new ATOM 0 HD1 PHE A 41 7.467 27.841 -2.692 1.00 74.10 H new ATOM 0 HD2 PHE A 41 8.786 26.745 1.208 1.00 55.12 H new ATOM 0 HE1 PHE A 41 5.626 26.223 -2.526 1.00 72.01 H new ATOM 0 HE2 PHE A 41 6.948 25.125 1.376 1.00 33.21 H new ATOM 0 HZ PHE A 41 5.366 24.857 -0.492 1.00 71.24 H new ATOM 664 N ASN A 42 11.231 30.472 -1.206 1.00 60.41 N ATOM 665 CA ASN A 42 12.428 31.284 -1.019 1.00 61.21 C ATOM 666 C ASN A 42 13.610 30.692 -1.779 1.00 42.30 C ATOM 667 O ASN A 42 13.836 29.482 -1.753 1.00 3.15 O ATOM 668 CB ASN A 42 12.767 31.394 0.469 1.00 64.42 C ATOM 669 CG ASN A 42 13.192 32.795 0.864 1.00 53.15 C ATOM 670 OD1 ASN A 42 12.753 33.324 1.885 1.00 54.41 O ATOM 671 ND2 ASN A 42 14.050 33.403 0.053 1.00 32.44 N ATOM 0 H ASN A 42 11.363 29.659 -1.808 1.00 60.41 H new ATOM 0 HA ASN A 42 12.227 32.280 -1.414 1.00 61.21 H new ATOM 0 HB2 ASN A 42 11.899 31.101 1.059 1.00 64.42 H new ATOM 0 HB3 ASN A 42 13.567 30.694 0.709 1.00 64.42 H new ATOM 0 HD22 ASN A 42 14.388 32.926 -0.783 1.00 32.44 H new ATOM 677 N ARG A 43 14.363 31.554 -2.456 1.00 5.34 N ATOM 678 CA ARG A 43 15.523 31.117 -3.223 1.00 50.42 C ATOM 679 C ARG A 43 16.768 31.903 -2.822 1.00 3.14 C ATOM 680 O ARG A 43 17.863 31.347 -2.735 1.00 22.04 O ATOM 681 CB ARG A 43 15.261 31.287 -4.721 1.00 65.43 C ATOM 682 CG ARG A 43 14.826 32.690 -5.110 1.00 60.21 C ATOM 683 CD ARG A 43 13.702 32.661 -6.135 1.00 24.14 C ATOM 684 NE ARG A 43 14.023 33.450 -7.320 1.00 52.44 N ATOM 685 CZ ARG A 43 13.110 33.894 -8.177 1.00 71.52 C ATOM 686 NH1 ARG A 43 11.826 33.628 -7.979 1.00 24.40 N ATOM 687 NH2 ARG A 43 13.480 34.606 -9.233 1.00 54.14 N ATOM 0 H ARG A 43 14.190 32.559 -2.488 1.00 5.34 H new ATOM 0 HA ARG A 43 15.695 30.063 -3.007 1.00 50.42 H new ATOM 0 HB2 ARG A 43 16.167 31.032 -5.271 1.00 65.43 H new ATOM 0 HB3 ARG A 43 14.491 30.579 -5.029 1.00 65.43 H new ATOM 0 HG2 ARG A 43 14.496 33.229 -4.222 1.00 60.21 H new ATOM 0 HG3 ARG A 43 15.677 33.236 -5.517 1.00 60.21 H new ATOM 0 HD2 ARG A 43 13.505 31.630 -6.428 1.00 24.14 H new ATOM 0 HD3 ARG A 43 12.788 33.043 -5.681 1.00 24.14 H new ATOM 0 HE ARG A 43 15.002 33.673 -7.500 1.00 52.44 H new ATOM 0 HH11 ARG A 43 11.538 33.082 -7.167 1.00 24.40 H new ATOM 0 HH12 ARG A 43 11.127 33.970 -8.638 1.00 24.40 H new ATOM 0 HH21 ARG A 43 14.467 34.813 -9.388 1.00 54.14 H new ATOM 0 HH22 ARG A 43 12.778 34.946 -9.890 1.00 54.14 H new ATOM 701 N SER A 44 16.592 33.197 -2.580 1.00 3.33 N ATOM 702 CA SER A 44 17.702 34.060 -2.192 1.00 43.41 C ATOM 703 C SER A 44 18.462 33.469 -1.007 1.00 53.54 C ATOM 704 O SER A 44 19.658 33.707 -0.840 1.00 54.44 O ATOM 705 CB SER A 44 17.190 35.458 -1.838 1.00 41.24 C ATOM 706 OG SER A 44 16.077 35.811 -2.641 1.00 10.22 O ATOM 0 H SER A 44 15.692 33.672 -2.646 1.00 3.33 H new ATOM 0 HA SER A 44 18.385 34.134 -3.039 1.00 43.41 H new ATOM 0 HB2 SER A 44 16.908 35.490 -0.786 1.00 41.24 H new ATOM 0 HB3 SER A 44 17.988 36.187 -1.976 1.00 41.24 H new ATOM 0 HG SER A 44 15.767 36.707 -2.395 1.00 10.22 H new ATOM 712 N LYS A 45 17.757 32.696 -0.188 1.00 44.34 N ATOM 713 CA LYS A 45 18.362 32.069 0.981 1.00 53.03 C ATOM 714 C LYS A 45 19.631 31.315 0.597 1.00 33.44 C ATOM 715 O LYS A 45 20.553 31.183 1.403 1.00 2.50 O ATOM 716 CB LYS A 45 17.368 31.113 1.644 1.00 65.24 C ATOM 717 CG LYS A 45 16.216 31.818 2.337 1.00 31.45 C ATOM 718 CD LYS A 45 15.328 30.835 3.082 1.00 12.32 C ATOM 719 CE LYS A 45 14.709 31.470 4.318 1.00 33.54 C ATOM 720 NZ LYS A 45 13.221 31.441 4.270 1.00 32.22 N ATOM 0 H LYS A 45 16.766 32.489 -0.312 1.00 44.34 H new ATOM 0 HA LYS A 45 18.627 32.855 1.688 1.00 53.03 H new ATOM 0 HB2 LYS A 45 16.968 30.437 0.888 1.00 65.24 H new ATOM 0 HB3 LYS A 45 17.898 30.499 2.372 1.00 65.24 H new ATOM 0 HG2 LYS A 45 16.608 32.557 3.036 1.00 31.45 H new ATOM 0 HG3 LYS A 45 15.623 32.359 1.600 1.00 31.45 H new ATOM 0 HD2 LYS A 45 14.538 30.481 2.419 1.00 12.32 H new ATOM 0 HD3 LYS A 45 15.913 29.963 3.374 1.00 12.32 H new ATOM 0 HE2 LYS A 45 15.054 30.944 5.208 1.00 33.54 H new ATOM 0 HE3 LYS A 45 15.050 32.502 4.406 1.00 33.54 H new ATOM 0 HZ1 LYS A 45 12.843 31.387 5.238 1.00 32.22 H new ATOM 0 HZ2 LYS A 45 12.872 32.306 3.810 1.00 32.22 H new ATOM 0 HZ3 LYS A 45 12.907 30.610 3.729 1.00 32.22 H new ATOM 734 N ALA A 46 19.671 30.822 -0.636 1.00 4.40 N ATOM 735 CA ALA A 46 20.829 30.084 -1.126 1.00 1.25 C ATOM 736 C ALA A 46 20.826 30.006 -2.649 1.00 53.12 C ATOM 737 O ALA A 46 20.027 29.280 -3.242 1.00 13.13 O ATOM 738 CB ALA A 46 20.859 28.687 -0.524 1.00 54.11 C ATOM 0 H ALA A 46 18.915 30.920 -1.314 1.00 4.40 H new ATOM 0 HA ALA A 46 21.727 30.620 -0.817 1.00 1.25 H new ATOM 0 HB1 ALA A 46 21.729 28.148 -0.899 1.00 54.11 H new ATOM 0 HB2 ALA A 46 20.918 28.760 0.562 1.00 54.11 H new ATOM 0 HB3 ALA A 46 19.952 28.151 -0.803 1.00 54.11 H new ATOM 744 N LEU A 47 21.723 30.759 -3.278 1.00 21.24 N ATOM 745 CA LEU A 47 21.823 30.775 -4.733 1.00 20.41 C ATOM 746 C LEU A 47 23.220 30.366 -5.187 1.00 14.33 C ATOM 747 O LEU A 47 24.221 30.888 -4.695 1.00 44.34 O ATOM 748 CB LEU A 47 21.486 32.167 -5.271 1.00 73.40 C ATOM 749 CG LEU A 47 20.234 32.826 -4.690 1.00 4.13 C ATOM 750 CD1 LEU A 47 20.260 34.327 -4.935 1.00 14.01 C ATOM 751 CD2 LEU A 47 18.979 32.207 -5.287 1.00 14.23 C ATOM 0 H LEU A 47 22.391 31.366 -2.803 1.00 21.24 H new ATOM 0 HA LEU A 47 21.107 30.055 -5.130 1.00 20.41 H new ATOM 0 HB2 LEU A 47 22.337 32.822 -5.085 1.00 73.40 H new ATOM 0 HB3 LEU A 47 21.367 32.098 -6.352 1.00 73.40 H new ATOM 0 HG LEU A 47 20.222 32.654 -3.614 1.00 4.13 H new ATOM 0 HD11 LEU A 47 19.362 34.780 -4.515 1.00 14.01 H new ATOM 0 HD12 LEU A 47 21.140 34.758 -4.459 1.00 14.01 H new ATOM 0 HD13 LEU A 47 20.296 34.520 -6.007 1.00 14.01 H new ATOM 0 HD21 LEU A 47 18.098 32.688 -4.862 1.00 14.23 H new ATOM 0 HD22 LEU A 47 18.983 32.347 -6.368 1.00 14.23 H new ATOM 0 HD23 LEU A 47 18.955 31.141 -5.059 1.00 14.23 H new ATOM 763 N PHE A 48 23.280 29.432 -6.129 1.00 65.31 N ATOM 764 CA PHE A 48 24.555 28.954 -6.652 1.00 25.33 C ATOM 765 C PHE A 48 24.411 28.489 -8.097 1.00 61.23 C ATOM 766 O PHE A 48 23.581 27.634 -8.406 1.00 74.12 O ATOM 767 CB PHE A 48 25.088 27.808 -5.787 1.00 14.42 C ATOM 768 CG PHE A 48 24.189 26.605 -5.765 1.00 45.35 C ATOM 769 CD1 PHE A 48 23.030 26.603 -5.008 1.00 11.14 C ATOM 770 CD2 PHE A 48 24.505 25.476 -6.503 1.00 52.03 C ATOM 771 CE1 PHE A 48 22.200 25.498 -4.986 1.00 42.00 C ATOM 772 CE2 PHE A 48 23.679 24.367 -6.487 1.00 21.13 C ATOM 773 CZ PHE A 48 22.527 24.378 -5.726 1.00 34.21 C ATOM 0 H PHE A 48 22.461 28.990 -6.546 1.00 65.31 H new ATOM 0 HA PHE A 48 25.263 29.782 -6.624 1.00 25.33 H new ATOM 0 HB2 PHE A 48 26.070 27.511 -6.156 1.00 14.42 H new ATOM 0 HB3 PHE A 48 25.226 28.167 -4.767 1.00 14.42 H new ATOM 0 HD1 PHE A 48 22.771 27.476 -4.427 1.00 11.14 H new ATOM 0 HD2 PHE A 48 25.407 25.462 -7.098 1.00 52.03 H new ATOM 0 HE1 PHE A 48 21.298 25.510 -4.392 1.00 42.00 H new ATOM 0 HE2 PHE A 48 23.935 23.494 -7.069 1.00 21.13 H new ATOM 0 HZ PHE A 48 21.882 23.512 -5.709 1.00 34.21 H new ATOM 783 N SER A 49 25.226 29.059 -8.980 1.00 71.42 N ATOM 784 CA SER A 49 25.186 28.706 -10.395 1.00 4.02 C ATOM 785 C SER A 49 26.294 29.421 -11.163 1.00 63.33 C ATOM 786 O SER A 49 27.034 28.800 -11.926 1.00 33.14 O ATOM 787 CB SER A 49 23.823 29.062 -10.992 1.00 43.55 C ATOM 788 OG SER A 49 23.106 27.896 -11.357 1.00 23.52 O ATOM 0 H SER A 49 25.921 29.766 -8.741 1.00 71.42 H new ATOM 0 HA SER A 49 25.343 27.631 -10.482 1.00 4.02 H new ATOM 0 HB2 SER A 49 23.245 29.637 -10.269 1.00 43.55 H new ATOM 0 HB3 SER A 49 23.960 29.697 -11.867 1.00 43.55 H new ATOM 0 HG SER A 49 22.967 27.336 -10.565 1.00 23.52 H new ATOM 794 N GLN A 50 26.400 30.729 -10.955 1.00 51.12 N ATOM 795 CA GLN A 50 27.417 31.529 -11.629 1.00 74.31 C ATOM 796 C GLN A 50 27.505 32.924 -11.018 1.00 34.21 C ATOM 797 O GLN A 50 27.054 33.902 -11.612 1.00 52.05 O ATOM 798 CB GLN A 50 27.106 31.633 -13.123 1.00 40.12 C ATOM 799 CG GLN A 50 25.660 31.997 -13.421 1.00 65.01 C ATOM 800 CD GLN A 50 25.371 32.065 -14.908 1.00 35.43 C ATOM 801 OE1 GLN A 50 25.201 31.039 -15.566 1.00 72.52 O ATOM 802 NE2 GLN A 50 25.312 33.279 -15.444 1.00 33.52 N ATOM 0 H GLN A 50 25.795 31.257 -10.326 1.00 51.12 H new ATOM 0 HA GLN A 50 28.379 31.033 -11.499 1.00 74.31 H new ATOM 0 HB2 GLN A 50 27.760 32.382 -13.570 1.00 40.12 H new ATOM 0 HB3 GLN A 50 27.338 30.681 -13.601 1.00 40.12 H new ATOM 0 HG2 GLN A 50 25.001 31.261 -12.960 1.00 65.01 H new ATOM 0 HG3 GLN A 50 25.430 32.960 -12.965 1.00 65.01 H new ATOM 0 HE21 GLN A 50 25.459 34.102 -14.860 1.00 33.52 H new ATOM 0 HE22 GLN A 50 25.119 33.388 -16.440 1.00 33.52 H new ATOM 811 N SER A 51 28.090 33.007 -9.827 1.00 73.04 N ATOM 812 CA SER A 51 28.234 34.281 -9.134 1.00 74.10 C ATOM 813 C SER A 51 26.877 34.952 -8.943 1.00 14.24 C ATOM 814 O SER A 51 26.718 36.143 -9.209 1.00 5.31 O ATOM 815 CB SER A 51 29.169 35.207 -9.914 1.00 33.01 C ATOM 816 OG SER A 51 30.278 34.494 -10.432 1.00 72.10 O ATOM 0 H SER A 51 28.472 32.207 -9.322 1.00 73.04 H new ATOM 0 HA SER A 51 28.664 34.086 -8.152 1.00 74.10 H new ATOM 0 HB2 SER A 51 28.622 35.677 -10.731 1.00 33.01 H new ATOM 0 HB3 SER A 51 29.520 36.007 -9.263 1.00 33.01 H new ATOM 0 HG SER A 51 30.859 35.108 -10.928 1.00 72.10 H new ATOM 822 N ALA A 52 25.901 34.178 -8.481 1.00 31.44 N ATOM 823 CA ALA A 52 24.558 34.697 -8.252 1.00 24.12 C ATOM 824 C ALA A 52 24.575 35.839 -7.241 1.00 65.44 C ATOM 825 O ALA A 52 24.113 36.943 -7.531 1.00 23.21 O ATOM 826 CB ALA A 52 23.635 33.583 -7.778 1.00 4.34 C ATOM 0 H ALA A 52 26.015 33.189 -8.258 1.00 31.44 H new ATOM 0 HA ALA A 52 24.181 35.089 -9.197 1.00 24.12 H new ATOM 0 HB1 ALA A 52 22.636 33.985 -7.611 1.00 4.34 H new ATOM 0 HB2 ALA A 52 23.590 32.801 -8.536 1.00 4.34 H new ATOM 0 HB3 ALA A 52 24.018 33.164 -6.847 1.00 4.34 H new ATOM 832 N ILE A 53 25.109 35.565 -6.055 1.00 53.25 N ATOM 833 CA ILE A 53 25.186 36.571 -5.003 1.00 74.31 C ATOM 834 C ILE A 53 26.599 36.669 -4.440 1.00 2.44 C ATOM 835 O ILE A 53 27.103 35.726 -3.830 1.00 14.15 O ATOM 836 CB ILE A 53 24.208 36.259 -3.855 1.00 21.45 C ATOM 837 CG1 ILE A 53 24.226 34.764 -3.532 1.00 61.43 C ATOM 838 CG2 ILE A 53 22.802 36.711 -4.219 1.00 71.01 C ATOM 839 CD1 ILE A 53 24.076 34.462 -2.057 1.00 45.15 C ATOM 0 H ILE A 53 25.494 34.656 -5.799 1.00 53.25 H new ATOM 0 HA ILE A 53 24.911 37.524 -5.455 1.00 74.31 H new ATOM 0 HB ILE A 53 24.526 36.807 -2.968 1.00 21.45 H new ATOM 0 HG12 ILE A 53 23.421 34.273 -4.079 1.00 61.43 H new ATOM 0 HG13 ILE A 53 25.162 34.335 -3.889 1.00 61.43 H new ATOM 0 HG21 ILE A 53 22.123 36.484 -3.398 1.00 71.01 H new ATOM 0 HG22 ILE A 53 22.801 37.785 -4.403 1.00 71.01 H new ATOM 0 HG23 ILE A 53 22.473 36.189 -5.117 1.00 71.01 H new ATOM 0 HD11 ILE A 53 24.098 33.383 -1.902 1.00 45.15 H new ATOM 0 HD12 ILE A 53 24.895 34.924 -1.506 1.00 45.15 H new ATOM 0 HD13 ILE A 53 23.127 34.861 -1.699 1.00 45.15 H new ATOM 851 N SER A 54 27.234 37.819 -4.647 1.00 62.21 N ATOM 852 CA SER A 54 28.591 38.041 -4.162 1.00 1.02 C ATOM 853 C SER A 54 28.656 37.891 -2.645 1.00 2.22 C ATOM 854 O SER A 54 28.128 38.721 -1.906 1.00 52.20 O ATOM 855 CB SER A 54 29.080 39.432 -4.570 1.00 71.12 C ATOM 856 OG SER A 54 30.166 39.345 -5.478 1.00 32.34 O ATOM 0 H SER A 54 26.830 38.611 -5.147 1.00 62.21 H new ATOM 0 HA SER A 54 29.239 37.290 -4.613 1.00 1.02 H new ATOM 0 HB2 SER A 54 28.262 39.988 -5.028 1.00 71.12 H new ATOM 0 HB3 SER A 54 29.386 39.988 -3.684 1.00 71.12 H new ATOM 0 HG SER A 54 30.459 40.247 -5.725 1.00 32.34 H new ATOM 862 N GLN A 55 29.309 36.827 -2.189 1.00 53.42 N ATOM 863 CA GLN A 55 29.443 36.568 -0.761 1.00 23.10 C ATOM 864 C GLN A 55 30.338 37.612 -0.100 1.00 63.52 C ATOM 865 O GLN A 55 30.342 37.757 1.123 1.00 53.32 O ATOM 866 CB GLN A 55 30.014 35.168 -0.526 1.00 75.14 C ATOM 867 CG GLN A 55 29.062 34.049 -0.922 1.00 14.22 C ATOM 868 CD GLN A 55 28.546 33.273 0.274 1.00 53.04 C ATOM 869 OE1 GLN A 55 27.513 33.614 0.851 1.00 73.44 O ATOM 870 NE2 GLN A 55 29.264 32.223 0.653 1.00 34.15 N ATOM 0 H GLN A 55 29.753 36.131 -2.788 1.00 53.42 H new ATOM 0 HA GLN A 55 28.452 36.629 -0.312 1.00 23.10 H new ATOM 0 HB2 GLN A 55 30.940 35.063 -1.091 1.00 75.14 H new ATOM 0 HB3 GLN A 55 30.269 35.061 0.528 1.00 75.14 H new ATOM 0 HG2 GLN A 55 28.218 34.471 -1.468 1.00 14.22 H new ATOM 0 HG3 GLN A 55 29.572 33.366 -1.601 1.00 14.22 H new ATOM 0 HE21 GLN A 55 30.114 31.976 0.146 1.00 34.15 H new ATOM 0 HE22 GLN A 55 28.966 31.663 1.451 1.00 34.15 H new ATOM 879 N LYS A 56 31.097 38.335 -0.916 1.00 72.24 N ATOM 880 CA LYS A 56 31.996 39.366 -0.411 1.00 44.15 C ATOM 881 C LYS A 56 31.210 40.540 0.163 1.00 72.12 C ATOM 882 O LYS A 56 31.690 41.245 1.049 1.00 22.24 O ATOM 883 CB LYS A 56 32.921 39.856 -1.529 1.00 73.53 C ATOM 884 CG LYS A 56 32.184 40.264 -2.793 1.00 60.14 C ATOM 885 CD LYS A 56 32.505 41.695 -3.188 1.00 72.04 C ATOM 886 CE LYS A 56 33.776 41.773 -4.021 1.00 23.23 C ATOM 887 NZ LYS A 56 34.057 43.162 -4.477 1.00 32.45 N ATOM 0 H LYS A 56 31.108 38.226 -1.930 1.00 72.24 H new ATOM 0 HA LYS A 56 32.598 38.930 0.386 1.00 44.15 H new ATOM 0 HB2 LYS A 56 33.499 40.706 -1.165 1.00 73.53 H new ATOM 0 HB3 LYS A 56 33.633 39.067 -1.772 1.00 73.53 H new ATOM 0 HG2 LYS A 56 32.455 39.591 -3.607 1.00 60.14 H new ATOM 0 HG3 LYS A 56 31.110 40.160 -2.639 1.00 60.14 H new ATOM 0 HD2 LYS A 56 31.672 42.113 -3.754 1.00 72.04 H new ATOM 0 HD3 LYS A 56 32.619 42.304 -2.291 1.00 72.04 H new ATOM 0 HE2 LYS A 56 34.618 41.406 -3.434 1.00 23.23 H new ATOM 0 HE3 LYS A 56 33.683 41.118 -4.888 1.00 23.23 H new ATOM 0 HZ1 LYS A 56 34.931 43.172 -5.041 1.00 32.45 H new ATOM 0 HZ2 LYS A 56 33.265 43.503 -5.059 1.00 32.45 H new ATOM 0 HZ3 LYS A 56 34.172 43.782 -3.650 1.00 32.45 H new ATOM 901 N GLU A 57 29.999 40.742 -0.347 1.00 31.22 N ATOM 902 CA GLU A 57 29.147 41.830 0.118 1.00 51.44 C ATOM 903 C GLU A 57 27.835 41.292 0.680 1.00 11.01 C ATOM 904 O GLU A 57 27.037 42.040 1.246 1.00 53.22 O ATOM 905 CB GLU A 57 28.862 42.808 -1.025 1.00 34.12 C ATOM 906 CG GLU A 57 28.832 42.152 -2.395 1.00 64.42 C ATOM 907 CD GLU A 57 28.550 43.139 -3.509 1.00 41.25 C ATOM 908 OE1 GLU A 57 29.433 43.973 -3.801 1.00 15.12 O ATOM 909 OE2 GLU A 57 27.447 43.078 -4.091 1.00 55.05 O ATOM 0 H GLU A 57 29.586 40.167 -1.082 1.00 31.22 H new ATOM 0 HA GLU A 57 29.675 42.356 0.914 1.00 51.44 H new ATOM 0 HB2 GLU A 57 27.904 43.296 -0.844 1.00 34.12 H new ATOM 0 HB3 GLU A 57 29.623 43.589 -1.022 1.00 34.12 H new ATOM 0 HG2 GLU A 57 29.789 41.664 -2.581 1.00 64.42 H new ATOM 0 HG3 GLU A 57 28.070 41.373 -2.404 1.00 64.42 H new ATOM 916 N TYR A 58 27.619 39.992 0.520 1.00 74.21 N ATOM 917 CA TYR A 58 26.403 39.353 1.008 1.00 30.43 C ATOM 918 C TYR A 58 26.732 38.111 1.830 1.00 24.25 C ATOM 919 O TYR A 58 27.899 37.758 2.002 1.00 22.33 O ATOM 920 CB TYR A 58 25.493 38.977 -0.162 1.00 60.33 C ATOM 921 CG TYR A 58 24.121 39.608 -0.090 1.00 41.45 C ATOM 922 CD1 TYR A 58 23.974 40.972 0.133 1.00 24.03 C ATOM 923 CD2 TYR A 58 22.973 38.842 -0.244 1.00 70.14 C ATOM 924 CE1 TYR A 58 22.723 41.553 0.200 1.00 14.12 C ATOM 925 CE2 TYR A 58 21.717 39.415 -0.181 1.00 23.15 C ATOM 926 CZ TYR A 58 21.598 40.771 0.042 1.00 53.33 C ATOM 927 OH TYR A 58 20.349 41.346 0.108 1.00 43.41 O ATOM 0 H TYR A 58 28.271 39.359 0.056 1.00 74.21 H new ATOM 0 HA TYR A 58 25.883 40.064 1.650 1.00 30.43 H new ATOM 0 HB2 TYR A 58 25.972 39.275 -1.094 1.00 60.33 H new ATOM 0 HB3 TYR A 58 25.384 37.893 -0.192 1.00 60.33 H new ATOM 0 HD1 TYR A 58 24.853 41.588 0.256 1.00 24.03 H new ATOM 0 HD2 TYR A 58 23.063 37.780 -0.416 1.00 70.14 H new ATOM 0 HE1 TYR A 58 22.626 42.614 0.375 1.00 14.12 H new ATOM 0 HE2 TYR A 58 20.834 38.805 -0.306 1.00 23.15 H new ATOM 0 HH TYR A 58 19.664 40.657 -0.025 1.00 43.41 H new ATOM 937 N ASP A 59 25.696 37.451 2.336 1.00 14.34 N ATOM 938 CA ASP A 59 25.873 36.248 3.139 1.00 1.03 C ATOM 939 C ASP A 59 24.525 35.683 3.577 1.00 62.33 C ATOM 940 O ASP A 59 23.474 36.153 3.143 1.00 23.45 O ATOM 941 CB ASP A 59 26.735 36.550 4.366 1.00 24.41 C ATOM 942 CG ASP A 59 27.735 35.447 4.656 1.00 50.00 C ATOM 943 OD1 ASP A 59 27.567 34.335 4.113 1.00 32.11 O ATOM 944 OD2 ASP A 59 28.687 35.697 5.425 1.00 33.52 O ATOM 0 H ASP A 59 24.724 37.730 2.204 1.00 14.34 H new ATOM 0 HA ASP A 59 26.377 35.502 2.524 1.00 1.03 H new ATOM 0 HB2 ASP A 59 27.268 37.488 4.210 1.00 24.41 H new ATOM 0 HB3 ASP A 59 26.091 36.690 5.234 1.00 24.41 H new ATOM 949 N SER A 60 24.565 34.670 4.437 1.00 74.01 N ATOM 950 CA SER A 60 23.346 34.037 4.929 1.00 65.31 C ATOM 951 C SER A 60 22.902 34.665 6.246 1.00 0.43 C ATOM 952 O SER A 60 21.817 34.375 6.750 1.00 54.12 O ATOM 953 CB SER A 60 23.567 32.535 5.116 1.00 31.33 C ATOM 954 OG SER A 60 24.891 32.167 4.771 1.00 23.01 O ATOM 0 H SER A 60 25.427 34.270 4.807 1.00 74.01 H new ATOM 0 HA SER A 60 22.561 34.192 4.189 1.00 65.31 H new ATOM 0 HB2 SER A 60 23.369 32.261 6.152 1.00 31.33 H new ATOM 0 HB3 SER A 60 22.860 31.981 4.499 1.00 31.33 H new ATOM 0 HG SER A 60 25.007 31.203 4.901 1.00 23.01 H new ATOM 960 N SER A 61 23.748 35.528 6.798 1.00 5.34 N ATOM 961 CA SER A 61 23.446 36.196 8.059 1.00 23.11 C ATOM 962 C SER A 61 22.247 37.127 7.907 1.00 70.44 C ATOM 963 O SER A 61 21.557 37.434 8.879 1.00 32.34 O ATOM 964 CB SER A 61 24.661 36.987 8.547 1.00 61.31 C ATOM 965 OG SER A 61 25.488 37.370 7.462 1.00 4.43 O ATOM 0 H SER A 61 24.649 35.782 6.392 1.00 5.34 H new ATOM 0 HA SER A 61 23.200 35.431 8.796 1.00 23.11 H new ATOM 0 HB2 SER A 61 24.329 37.874 9.086 1.00 61.31 H new ATOM 0 HB3 SER A 61 25.234 36.383 9.250 1.00 61.31 H new ATOM 0 HG SER A 61 26.257 37.876 7.799 1.00 4.43 H new ATOM 971 N LEU A 62 22.004 37.573 6.679 1.00 64.44 N ATOM 972 CA LEU A 62 20.888 38.469 6.397 1.00 64.41 C ATOM 973 C LEU A 62 19.602 37.682 6.169 1.00 3.22 C ATOM 974 O LEU A 62 18.510 38.154 6.484 1.00 5.02 O ATOM 975 CB LEU A 62 21.197 39.329 5.171 1.00 43.34 C ATOM 976 CG LEU A 62 21.478 38.570 3.872 1.00 14.41 C ATOM 977 CD1 LEU A 62 20.371 38.819 2.859 1.00 24.23 C ATOM 978 CD2 LEU A 62 22.828 38.976 3.300 1.00 64.24 C ATOM 0 H LEU A 62 22.565 37.329 5.863 1.00 64.44 H new ATOM 0 HA LEU A 62 20.747 39.117 7.262 1.00 64.41 H new ATOM 0 HB2 LEU A 62 20.355 40.000 5.001 1.00 43.34 H new ATOM 0 HB3 LEU A 62 22.061 39.953 5.398 1.00 43.34 H new ATOM 0 HG LEU A 62 21.506 37.503 4.094 1.00 14.41 H new ATOM 0 HD11 LEU A 62 20.587 38.272 1.942 1.00 24.23 H new ATOM 0 HD12 LEU A 62 19.420 38.479 3.269 1.00 24.23 H new ATOM 0 HD13 LEU A 62 20.311 39.885 2.640 1.00 24.23 H new ATOM 0 HD21 LEU A 62 23.012 38.427 2.377 1.00 64.24 H new ATOM 0 HD22 LEU A 62 22.828 40.046 3.092 1.00 64.24 H new ATOM 0 HD23 LEU A 62 23.613 38.746 4.021 1.00 64.24 H new ATOM 990 N ALA A 63 19.740 36.478 5.624 1.00 53.44 N ATOM 991 CA ALA A 63 18.588 35.624 5.358 1.00 63.10 C ATOM 992 C ALA A 63 18.537 34.453 6.334 1.00 1.32 C ATOM 993 O ALA A 63 19.283 34.414 7.314 1.00 74.03 O ATOM 994 CB ALA A 63 18.628 35.115 3.924 1.00 3.35 C ATOM 0 H ALA A 63 20.637 36.072 5.358 1.00 53.44 H new ATOM 0 HA ALA A 63 17.686 36.220 5.496 1.00 63.10 H new ATOM 0 HB1 ALA A 63 17.762 34.479 3.739 1.00 3.35 H new ATOM 0 HB2 ALA A 63 18.610 35.961 3.237 1.00 3.35 H new ATOM 0 HB3 ALA A 63 19.541 34.540 3.767 1.00 3.35 H new ATOM 1000 N THR A 64 17.651 33.500 6.062 1.00 22.12 N ATOM 1001 CA THR A 64 17.501 32.330 6.917 1.00 33.04 C ATOM 1002 C THR A 64 17.384 31.055 6.090 1.00 53.44 C ATOM 1003 O THR A 64 17.578 31.072 4.874 1.00 54.43 O ATOM 1004 CB THR A 64 16.263 32.453 7.827 1.00 42.33 C ATOM 1005 OG1 THR A 64 15.068 32.369 7.042 1.00 45.11 O ATOM 1006 CG2 THR A 64 16.283 33.769 8.590 1.00 32.04 C ATOM 0 H THR A 64 17.026 33.516 5.256 1.00 22.12 H new ATOM 0 HA THR A 64 18.395 32.277 7.538 1.00 33.04 H new ATOM 0 HB THR A 64 16.283 31.633 8.545 1.00 42.33 H new ATOM 0 HG1 THR A 64 14.286 32.446 7.627 1.00 45.11 H new ATOM 0 HG21 THR A 64 15.400 33.834 9.226 1.00 32.04 H new ATOM 0 HG22 THR A 64 17.180 33.818 9.208 1.00 32.04 H new ATOM 0 HG23 THR A 64 16.284 34.599 7.884 1.00 32.04 H new ATOM 1014 N LEU A 65 17.064 29.951 6.755 1.00 64.13 N ATOM 1015 CA LEU A 65 16.919 28.666 6.079 1.00 4.05 C ATOM 1016 C LEU A 65 15.631 27.968 6.505 1.00 1.34 C ATOM 1017 O LEU A 65 15.638 27.118 7.395 1.00 71.24 O ATOM 1018 CB LEU A 65 18.121 27.770 6.384 1.00 24.12 C ATOM 1019 CG LEU A 65 19.497 28.374 6.102 1.00 63.10 C ATOM 1020 CD1 LEU A 65 20.598 27.387 6.462 1.00 33.05 C ATOM 1021 CD2 LEU A 65 19.608 28.788 4.642 1.00 3.41 C ATOM 0 H LEU A 65 16.900 29.919 7.761 1.00 64.13 H new ATOM 0 HA LEU A 65 16.873 28.851 5.006 1.00 4.05 H new ATOM 0 HB2 LEU A 65 18.080 27.486 7.436 1.00 24.12 H new ATOM 0 HB3 LEU A 65 18.023 26.853 5.802 1.00 24.12 H new ATOM 0 HG LEU A 65 19.616 29.262 6.722 1.00 63.10 H new ATOM 0 HD11 LEU A 65 21.570 27.835 6.254 1.00 33.05 H new ATOM 0 HD12 LEU A 65 20.532 27.138 7.521 1.00 33.05 H new ATOM 0 HD13 LEU A 65 20.482 26.480 5.869 1.00 33.05 H new ATOM 0 HD21 LEU A 65 20.594 29.216 4.459 1.00 3.41 H new ATOM 0 HD22 LEU A 65 19.467 27.915 4.005 1.00 3.41 H new ATOM 0 HD23 LEU A 65 18.843 29.530 4.415 1.00 3.41 H new ATOM 1033 N ASP A 66 14.527 28.334 5.862 1.00 44.44 N ATOM 1034 CA ASP A 66 13.231 27.741 6.171 1.00 51.44 C ATOM 1035 C ASP A 66 13.316 26.219 6.170 1.00 64.45 C ATOM 1036 O ASP A 66 14.302 25.640 5.712 1.00 53.41 O ATOM 1037 CB ASP A 66 12.180 28.207 5.161 1.00 23.42 C ATOM 1038 CG ASP A 66 11.237 29.242 5.743 1.00 22.31 C ATOM 1039 OD1 ASP A 66 10.915 29.140 6.946 1.00 1.50 O ATOM 1040 OD2 ASP A 66 10.820 30.151 4.996 1.00 72.24 O ATOM 0 H ASP A 66 14.504 29.038 5.124 1.00 44.44 H new ATOM 0 HA ASP A 66 12.937 28.069 7.168 1.00 51.44 H new ATOM 0 HB2 ASP A 66 12.680 28.626 4.288 1.00 23.42 H new ATOM 0 HB3 ASP A 66 11.604 27.348 4.817 1.00 23.42 H new ATOM 1045 N HIS A 67 12.275 25.573 6.687 1.00 31.03 N ATOM 1046 CA HIS A 67 12.232 24.116 6.747 1.00 1.13 C ATOM 1047 C HIS A 67 10.887 23.591 6.254 1.00 12.23 C ATOM 1048 O HIS A 67 9.846 24.211 6.479 1.00 24.31 O ATOM 1049 CB HIS A 67 12.487 23.635 8.176 1.00 21.31 C ATOM 1050 CG HIS A 67 13.582 24.383 8.873 1.00 12.12 C ATOM 1051 ND1 HIS A 67 13.406 25.016 10.086 1.00 21.21 N ATOM 1052 CD2 HIS A 67 14.871 24.596 8.523 1.00 62.12 C ATOM 1053 CE1 HIS A 67 14.540 25.587 10.449 1.00 13.25 C ATOM 1054 NE2 HIS A 67 15.446 25.347 9.518 1.00 61.42 N ATOM 0 H HIS A 67 11.451 26.035 7.070 1.00 31.03 H new ATOM 0 HA HIS A 67 13.015 23.728 6.096 1.00 1.13 H new ATOM 0 HB2 HIS A 67 11.567 23.732 8.753 1.00 21.31 H new ATOM 0 HB3 HIS A 67 12.739 22.575 8.154 1.00 21.31 H new ATOM 0 HD2 HIS A 67 15.358 24.241 7.627 1.00 62.12 H new ATOM 0 HE1 HIS A 67 14.700 26.154 11.354 1.00 13.25 H new ATOM 0 HE2 HIS A 67 16.414 25.667 9.536 1.00 61.42 H new ATOM 1062 N THR A 68 10.915 22.446 5.579 1.00 51.51 N ATOM 1063 CA THR A 68 9.698 21.841 5.051 1.00 24.24 C ATOM 1064 C THR A 68 9.343 20.569 5.814 1.00 1.12 C ATOM 1065 O THR A 68 9.955 19.521 5.611 1.00 44.22 O ATOM 1066 CB THR A 68 9.841 21.504 3.555 1.00 1.43 C ATOM 1067 OG1 THR A 68 10.073 22.702 2.805 1.00 52.43 O ATOM 1068 CG2 THR A 68 8.593 20.808 3.035 1.00 31.11 C ATOM 0 H THR A 68 11.767 21.919 5.385 1.00 51.51 H new ATOM 0 HA THR A 68 8.900 22.573 5.176 1.00 24.24 H new ATOM 0 HB THR A 68 10.689 20.830 3.436 1.00 1.43 H new ATOM 0 HG1 THR A 68 9.959 22.517 1.849 1.00 52.43 H new ATOM 0 HG21 THR A 68 8.718 20.580 1.976 1.00 31.11 H new ATOM 0 HG22 THR A 68 8.435 19.883 3.589 1.00 31.11 H new ATOM 0 HG23 THR A 68 7.731 21.462 3.166 1.00 31.11 H new ATOM 1076 N GLU A 69 8.350 20.669 6.692 1.00 34.33 N ATOM 1077 CA GLU A 69 7.915 19.525 7.485 1.00 53.14 C ATOM 1078 C GLU A 69 7.099 18.554 6.636 1.00 51.21 C ATOM 1079 O GLU A 69 6.098 18.934 6.029 1.00 75.20 O ATOM 1080 CB GLU A 69 7.084 19.993 8.683 1.00 3.51 C ATOM 1081 CG GLU A 69 7.640 21.235 9.360 1.00 3.42 C ATOM 1082 CD GLU A 69 6.827 21.654 10.570 1.00 63.24 C ATOM 1083 OE1 GLU A 69 5.591 21.476 10.542 1.00 22.21 O ATOM 1084 OE2 GLU A 69 7.426 22.158 11.542 1.00 54.01 O ATOM 0 H GLU A 69 7.832 21.529 6.872 1.00 34.33 H new ATOM 0 HA GLU A 69 8.803 19.007 7.847 1.00 53.14 H new ATOM 0 HB2 GLU A 69 6.065 20.195 8.352 1.00 3.51 H new ATOM 0 HB3 GLU A 69 7.027 19.186 9.413 1.00 3.51 H new ATOM 0 HG2 GLU A 69 8.669 21.047 9.666 1.00 3.42 H new ATOM 0 HG3 GLU A 69 7.665 22.055 8.642 1.00 3.42 H new ATOM 1091 N ILE A 70 7.536 17.300 6.599 1.00 32.53 N ATOM 1092 CA ILE A 70 6.847 16.274 5.826 1.00 61.14 C ATOM 1093 C ILE A 70 5.730 15.630 6.640 1.00 54.32 C ATOM 1094 O ILE A 70 5.928 15.243 7.791 1.00 44.50 O ATOM 1095 CB ILE A 70 7.820 15.178 5.353 1.00 74.13 C ATOM 1096 CG1 ILE A 70 8.982 15.798 4.574 1.00 25.34 C ATOM 1097 CG2 ILE A 70 7.088 14.154 4.497 1.00 15.53 C ATOM 1098 CD1 ILE A 70 10.141 16.217 5.452 1.00 54.12 C ATOM 0 H ILE A 70 8.364 16.970 7.095 1.00 32.53 H new ATOM 0 HA ILE A 70 6.419 16.769 4.955 1.00 61.14 H new ATOM 0 HB ILE A 70 8.225 14.669 6.228 1.00 74.13 H new ATOM 0 HG12 ILE A 70 9.337 15.080 3.835 1.00 25.34 H new ATOM 0 HG13 ILE A 70 8.619 16.667 4.026 1.00 25.34 H new ATOM 0 HG21 ILE A 70 7.789 13.386 4.170 1.00 15.53 H new ATOM 0 HG22 ILE A 70 6.292 13.694 5.082 1.00 15.53 H new ATOM 0 HG23 ILE A 70 6.659 14.648 3.625 1.00 15.53 H new ATOM 0 HD11 ILE A 70 10.929 16.648 4.834 1.00 54.12 H new ATOM 0 HD12 ILE A 70 9.800 16.958 6.175 1.00 54.12 H new ATOM 0 HD13 ILE A 70 10.530 15.347 5.981 1.00 54.12 H new ATOM 1110 N LYS A 71 4.552 15.517 6.032 1.00 24.03 N ATOM 1111 CA LYS A 71 3.403 14.917 6.698 1.00 73.44 C ATOM 1112 C LYS A 71 2.934 13.669 5.955 1.00 3.25 C ATOM 1113 O LYS A 71 3.322 13.434 4.812 1.00 50.42 O ATOM 1114 CB LYS A 71 2.257 15.928 6.791 1.00 73.02 C ATOM 1115 CG LYS A 71 2.420 16.929 7.922 1.00 60.24 C ATOM 1116 CD LYS A 71 1.890 18.299 7.535 1.00 43.42 C ATOM 1117 CE LYS A 71 3.004 19.333 7.481 1.00 42.12 C ATOM 1118 NZ LYS A 71 2.564 20.590 6.816 1.00 74.34 N ATOM 0 H LYS A 71 4.370 15.833 5.080 1.00 24.03 H new ATOM 0 HA LYS A 71 3.707 14.627 7.704 1.00 73.44 H new ATOM 0 HB2 LYS A 71 2.182 16.468 5.847 1.00 73.02 H new ATOM 0 HB3 LYS A 71 1.319 15.390 6.926 1.00 73.02 H new ATOM 0 HG2 LYS A 71 1.892 16.570 8.806 1.00 60.24 H new ATOM 0 HG3 LYS A 71 3.474 17.008 8.190 1.00 60.24 H new ATOM 0 HD2 LYS A 71 1.400 18.239 6.563 1.00 43.42 H new ATOM 0 HD3 LYS A 71 1.134 18.614 8.254 1.00 43.42 H new ATOM 0 HE2 LYS A 71 3.341 19.557 8.493 1.00 42.12 H new ATOM 0 HE3 LYS A 71 3.858 18.919 6.945 1.00 42.12 H new ATOM 0 HZ1 LYS A 71 3.352 21.268 6.800 1.00 74.34 H new ATOM 0 HZ2 LYS A 71 2.266 20.381 5.842 1.00 74.34 H new ATOM 0 HZ3 LYS A 71 1.766 21.000 7.342 1.00 74.34 H new ATOM 1132 N ALA A 72 2.097 12.874 6.614 1.00 74.24 N ATOM 1133 CA ALA A 72 1.574 11.653 6.014 1.00 71.35 C ATOM 1134 C ALA A 72 0.674 11.968 4.823 1.00 4.12 C ATOM 1135 O ALA A 72 -0.060 12.957 4.812 1.00 23.31 O ATOM 1136 CB ALA A 72 0.813 10.840 7.051 1.00 2.10 C ATOM 0 H ALA A 72 1.767 13.054 7.562 1.00 74.24 H new ATOM 0 HA ALA A 72 2.418 11.065 5.653 1.00 71.35 H new ATOM 0 HB1 ALA A 72 0.428 9.931 6.589 1.00 2.10 H new ATOM 0 HB2 ALA A 72 1.483 10.576 7.869 1.00 2.10 H new ATOM 0 HB3 ALA A 72 -0.018 11.430 7.438 1.00 2.10 H new ATOM 1142 N PRO A 73 0.732 11.108 3.795 1.00 54.33 N ATOM 1143 CA PRO A 73 -0.072 11.275 2.579 1.00 64.20 C ATOM 1144 C PRO A 73 -1.556 11.032 2.828 1.00 62.05 C ATOM 1145 O PRO A 73 -2.401 11.839 2.442 1.00 0.40 O ATOM 1146 CB PRO A 73 0.494 10.212 1.633 1.00 12.14 C ATOM 1147 CG PRO A 73 1.071 9.174 2.532 1.00 44.23 C ATOM 1148 CD PRO A 73 1.583 9.909 3.739 1.00 63.34 C ATOM 0 HA PRO A 73 -0.013 12.290 2.186 1.00 64.20 H new ATOM 0 HB2 PRO A 73 -0.285 9.795 0.995 1.00 12.14 H new ATOM 0 HB3 PRO A 73 1.254 10.632 0.974 1.00 12.14 H new ATOM 0 HG2 PRO A 73 0.317 8.439 2.814 1.00 44.23 H new ATOM 0 HG3 PRO A 73 1.875 8.631 2.035 1.00 44.23 H new ATOM 0 HD2 PRO A 73 1.491 9.308 4.644 1.00 63.34 H new ATOM 0 HD3 PRO A 73 2.636 10.169 3.634 1.00 63.34 H new ATOM 1156 N PHE A 74 -1.867 9.913 3.474 1.00 51.04 N ATOM 1157 CA PHE A 74 -3.251 9.563 3.773 1.00 75.22 C ATOM 1158 C PHE A 74 -3.341 8.756 5.065 1.00 10.05 C ATOM 1159 O PHE A 74 -4.388 8.194 5.388 1.00 41.15 O ATOM 1160 CB PHE A 74 -3.859 8.766 2.617 1.00 53.11 C ATOM 1161 CG PHE A 74 -2.837 8.067 1.767 1.00 13.15 C ATOM 1162 CD1 PHE A 74 -2.055 7.053 2.295 1.00 23.11 C ATOM 1163 CD2 PHE A 74 -2.658 8.424 0.441 1.00 52.22 C ATOM 1164 CE1 PHE A 74 -1.112 6.409 1.515 1.00 34.24 C ATOM 1165 CE2 PHE A 74 -1.717 7.784 -0.344 1.00 32.43 C ATOM 1166 CZ PHE A 74 -0.945 6.774 0.194 1.00 61.11 C ATOM 0 H PHE A 74 -1.180 9.233 3.800 1.00 51.04 H new ATOM 0 HA PHE A 74 -3.813 10.488 3.903 1.00 75.22 H new ATOM 0 HB2 PHE A 74 -4.551 8.027 3.020 1.00 53.11 H new ATOM 0 HB3 PHE A 74 -4.442 9.440 1.989 1.00 53.11 H new ATOM 0 HD1 PHE A 74 -2.183 6.762 3.327 1.00 23.11 H new ATOM 0 HD2 PHE A 74 -3.261 9.212 0.015 1.00 52.22 H new ATOM 0 HE1 PHE A 74 -0.507 5.621 1.939 1.00 34.24 H new ATOM 0 HE2 PHE A 74 -1.586 8.074 -1.376 1.00 32.43 H new ATOM 0 HZ PHE A 74 -0.211 6.270 -0.418 1.00 61.11 H new ATOM 1176 N ASP A 75 -2.236 8.703 5.801 1.00 71.15 N ATOM 1177 CA ASP A 75 -2.188 7.966 7.057 1.00 72.21 C ATOM 1178 C ASP A 75 -2.093 6.464 6.803 1.00 4.44 C ATOM 1179 O ASP A 75 -2.325 5.997 5.689 1.00 34.25 O ATOM 1180 CB ASP A 75 -3.426 8.275 7.901 1.00 31.30 C ATOM 1181 CG ASP A 75 -4.302 7.055 8.113 1.00 41.43 C ATOM 1182 OD1 ASP A 75 -4.071 6.322 9.098 1.00 41.05 O ATOM 1183 OD2 ASP A 75 -5.218 6.835 7.294 1.00 62.14 O ATOM 0 H ASP A 75 -1.361 9.162 5.548 1.00 71.15 H new ATOM 0 HA ASP A 75 -1.298 8.281 7.601 1.00 72.21 H new ATOM 0 HB2 ASP A 75 -3.114 8.667 8.869 1.00 31.30 H new ATOM 0 HB3 ASP A 75 -4.009 9.057 7.414 1.00 31.30 H new ATOM 1188 N GLY A 76 -1.746 5.714 7.846 1.00 52.22 N ATOM 1189 CA GLY A 76 -1.624 4.274 7.714 1.00 14.12 C ATOM 1190 C GLY A 76 -0.525 3.703 8.588 1.00 51.21 C ATOM 1191 O GLY A 76 -0.563 3.834 9.812 1.00 64.32 O ATOM 0 H GLY A 76 -1.548 6.078 8.778 1.00 52.22 H new ATOM 0 HA2 GLY A 76 -2.573 3.806 7.977 1.00 14.12 H new ATOM 0 HA3 GLY A 76 -1.423 4.023 6.672 1.00 14.12 H new ATOM 1195 N THR A 77 0.459 3.066 7.959 1.00 12.50 N ATOM 1196 CA THR A 77 1.572 2.472 8.687 1.00 22.34 C ATOM 1197 C THR A 77 2.910 2.953 8.136 1.00 32.41 C ATOM 1198 O THR A 77 3.040 3.213 6.940 1.00 54.42 O ATOM 1199 CB THR A 77 1.527 0.933 8.622 1.00 23.25 C ATOM 1200 OG1 THR A 77 2.066 0.376 9.827 1.00 10.41 O ATOM 1201 CG2 THR A 77 2.311 0.419 7.425 1.00 61.31 C ATOM 0 H THR A 77 0.507 2.949 6.947 1.00 12.50 H new ATOM 0 HA THR A 77 1.475 2.789 9.725 1.00 22.34 H new ATOM 0 HB THR A 77 0.487 0.626 8.514 1.00 23.25 H new ATOM 0 HG1 THR A 77 2.384 1.099 10.408 1.00 10.41 H new ATOM 0 HG21 THR A 77 2.265 -0.670 7.400 1.00 61.31 H new ATOM 0 HG22 THR A 77 1.881 0.821 6.508 1.00 61.31 H new ATOM 0 HG23 THR A 77 3.351 0.736 7.507 1.00 61.31 H new ATOM 1209 N ILE A 78 3.899 3.067 9.014 1.00 2.33 N ATOM 1210 CA ILE A 78 5.227 3.515 8.614 1.00 11.14 C ATOM 1211 C ILE A 78 6.293 2.500 9.013 1.00 11.53 C ATOM 1212 O ILE A 78 6.255 1.943 10.109 1.00 64.33 O ATOM 1213 CB ILE A 78 5.574 4.880 9.239 1.00 74.21 C ATOM 1214 CG1 ILE A 78 6.822 5.466 8.578 1.00 0.13 C ATOM 1215 CG2 ILE A 78 5.779 4.737 10.741 1.00 41.15 C ATOM 1216 CD1 ILE A 78 6.833 6.978 8.541 1.00 53.31 C ATOM 0 H ILE A 78 3.806 2.855 10.008 1.00 2.33 H new ATOM 0 HA ILE A 78 5.212 3.615 7.529 1.00 11.14 H new ATOM 0 HB ILE A 78 4.742 5.564 9.069 1.00 74.21 H new ATOM 0 HG12 ILE A 78 7.705 5.117 9.114 1.00 0.13 H new ATOM 0 HG13 ILE A 78 6.897 5.085 7.559 1.00 0.13 H new ATOM 0 HG21 ILE A 78 6.024 5.709 11.169 1.00 41.15 H new ATOM 0 HG22 ILE A 78 4.865 4.359 11.199 1.00 41.15 H new ATOM 0 HG23 ILE A 78 6.596 4.041 10.932 1.00 41.15 H new ATOM 0 HD11 ILE A 78 7.747 7.324 8.059 1.00 53.31 H new ATOM 0 HD12 ILE A 78 5.969 7.335 7.980 1.00 53.31 H new ATOM 0 HD13 ILE A 78 6.790 7.367 9.558 1.00 53.31 H new ATOM 1228 N GLY A 79 7.246 2.268 8.116 1.00 63.33 N ATOM 1229 CA GLY A 79 8.312 1.322 8.393 1.00 75.24 C ATOM 1230 C GLY A 79 9.436 1.935 9.203 1.00 13.21 C ATOM 1231 O GLY A 79 9.205 2.825 10.023 1.00 31.15 O ATOM 0 H GLY A 79 7.299 2.718 7.202 1.00 63.33 H new ATOM 0 HA2 GLY A 79 7.904 0.467 8.933 1.00 75.24 H new ATOM 0 HA3 GLY A 79 8.711 0.944 7.452 1.00 75.24 H new ATOM 1235 N ASP A 80 10.655 1.461 8.976 1.00 64.51 N ATOM 1236 CA ASP A 80 11.820 1.968 9.692 1.00 74.44 C ATOM 1237 C ASP A 80 12.568 2.999 8.852 1.00 74.23 C ATOM 1238 O ASP A 80 12.516 2.968 7.623 1.00 64.52 O ATOM 1239 CB ASP A 80 12.757 0.818 10.064 1.00 5.15 C ATOM 1240 CG ASP A 80 13.953 1.284 10.871 1.00 61.21 C ATOM 1241 OD1 ASP A 80 13.792 2.217 11.684 1.00 25.11 O ATOM 1242 OD2 ASP A 80 15.051 0.716 10.688 1.00 72.33 O ATOM 0 H ASP A 80 10.863 0.725 8.301 1.00 64.51 H new ATOM 0 HA ASP A 80 11.472 2.453 10.604 1.00 74.44 H new ATOM 0 HB2 ASP A 80 12.204 0.073 10.636 1.00 5.15 H new ATOM 0 HB3 ASP A 80 13.105 0.328 9.155 1.00 5.15 H new ATOM 1247 N ALA A 81 13.260 3.912 9.525 1.00 54.34 N ATOM 1248 CA ALA A 81 14.019 4.951 8.841 1.00 54.33 C ATOM 1249 C ALA A 81 15.293 4.386 8.224 1.00 43.20 C ATOM 1250 O ALA A 81 16.025 3.632 8.868 1.00 43.44 O ATOM 1251 CB ALA A 81 14.352 6.081 9.804 1.00 3.50 C ATOM 0 H ALA A 81 13.311 3.953 10.543 1.00 54.34 H new ATOM 0 HA ALA A 81 13.401 5.346 8.034 1.00 54.33 H new ATOM 0 HB1 ALA A 81 14.919 6.850 9.280 1.00 3.50 H new ATOM 0 HB2 ALA A 81 13.429 6.512 10.193 1.00 3.50 H new ATOM 0 HB3 ALA A 81 14.947 5.691 10.630 1.00 3.50 H new ATOM 1257 N LEU A 82 15.553 4.751 6.974 1.00 13.53 N ATOM 1258 CA LEU A 82 16.741 4.280 6.270 1.00 72.43 C ATOM 1259 C LEU A 82 17.930 5.197 6.533 1.00 43.01 C ATOM 1260 O LEU A 82 19.037 4.731 6.805 1.00 3.24 O ATOM 1261 CB LEU A 82 16.468 4.199 4.767 1.00 75.01 C ATOM 1262 CG LEU A 82 15.935 2.860 4.252 1.00 12.52 C ATOM 1263 CD1 LEU A 82 15.040 2.207 5.293 1.00 24.24 C ATOM 1264 CD2 LEU A 82 15.182 3.054 2.944 1.00 14.51 C ATOM 0 H LEU A 82 14.957 5.372 6.426 1.00 13.53 H new ATOM 0 HA LEU A 82 16.984 3.285 6.644 1.00 72.43 H new ATOM 0 HB2 LEU A 82 15.751 4.977 4.506 1.00 75.01 H new ATOM 0 HB3 LEU A 82 17.393 4.427 4.237 1.00 75.01 H new ATOM 0 HG LEU A 82 16.782 2.200 4.066 1.00 12.52 H new ATOM 0 HD11 LEU A 82 14.670 1.256 4.910 1.00 24.24 H new ATOM 0 HD12 LEU A 82 15.610 2.033 6.206 1.00 24.24 H new ATOM 0 HD13 LEU A 82 14.197 2.863 5.511 1.00 24.24 H new ATOM 0 HD21 LEU A 82 14.810 2.092 2.592 1.00 14.51 H new ATOM 0 HD22 LEU A 82 14.343 3.731 3.104 1.00 14.51 H new ATOM 0 HD23 LEU A 82 15.853 3.479 2.197 1.00 14.51 H new ATOM 1276 N VAL A 83 17.695 6.502 6.452 1.00 35.45 N ATOM 1277 CA VAL A 83 18.746 7.485 6.686 1.00 61.42 C ATOM 1278 C VAL A 83 18.616 8.111 8.070 1.00 72.42 C ATOM 1279 O VAL A 83 17.755 7.724 8.860 1.00 24.20 O ATOM 1280 CB VAL A 83 18.716 8.601 5.625 1.00 65.22 C ATOM 1281 CG1 VAL A 83 18.911 8.020 4.233 1.00 73.23 C ATOM 1282 CG2 VAL A 83 17.413 9.382 5.709 1.00 24.43 C ATOM 0 H VAL A 83 16.785 6.904 6.226 1.00 35.45 H new ATOM 0 HA VAL A 83 19.696 6.955 6.619 1.00 61.42 H new ATOM 0 HB VAL A 83 19.538 9.289 5.823 1.00 65.22 H new ATOM 0 HG11 VAL A 83 18.887 8.823 3.497 1.00 73.23 H new ATOM 0 HG12 VAL A 83 19.873 7.511 4.183 1.00 73.23 H new ATOM 0 HG13 VAL A 83 18.113 7.309 4.020 1.00 73.23 H new ATOM 0 HG21 VAL A 83 17.409 10.166 4.952 1.00 24.43 H new ATOM 0 HG22 VAL A 83 16.573 8.708 5.538 1.00 24.43 H new ATOM 0 HG23 VAL A 83 17.321 9.832 6.698 1.00 24.43 H new ATOM 1292 N ASN A 84 19.476 9.082 8.357 1.00 14.15 N ATOM 1293 CA ASN A 84 19.457 9.763 9.647 1.00 11.12 C ATOM 1294 C ASN A 84 19.236 11.263 9.468 1.00 62.21 C ATOM 1295 O ASN A 84 18.915 11.726 8.373 1.00 3.02 O ATOM 1296 CB ASN A 84 20.768 9.516 10.397 1.00 44.42 C ATOM 1297 CG ASN A 84 21.108 8.042 10.496 1.00 32.25 C ATOM 1298 OD1 ASN A 84 20.413 7.278 11.167 1.00 24.40 O ATOM 1299 ND2 ASN A 84 22.180 7.634 9.827 1.00 11.24 N ATOM 0 H ASN A 84 20.195 9.415 7.714 1.00 14.15 H new ATOM 0 HA ASN A 84 18.630 9.359 10.231 1.00 11.12 H new ATOM 0 HB2 ASN A 84 21.578 10.040 9.889 1.00 44.42 H new ATOM 0 HB3 ASN A 84 20.695 9.937 11.400 1.00 44.42 H new ATOM 0 HD21 ASN A 84 22.457 6.653 9.856 1.00 11.24 H new ATOM 0 HD22 ASN A 84 22.727 8.302 9.284 1.00 11.24 H new ATOM 1306 N ILE A 85 19.412 12.014 10.549 1.00 73.41 N ATOM 1307 CA ILE A 85 19.232 13.460 10.511 1.00 43.22 C ATOM 1308 C ILE A 85 20.542 14.168 10.176 1.00 71.44 C ATOM 1309 O ILE A 85 21.621 13.706 10.544 1.00 32.35 O ATOM 1310 CB ILE A 85 18.701 13.998 11.853 1.00 73.13 C ATOM 1311 CG1 ILE A 85 17.320 13.409 12.152 1.00 43.33 C ATOM 1312 CG2 ILE A 85 18.640 15.518 11.828 1.00 51.11 C ATOM 1313 CD1 ILE A 85 16.706 13.929 13.433 1.00 40.22 C ATOM 0 H ILE A 85 19.679 11.646 11.462 1.00 73.41 H new ATOM 0 HA ILE A 85 18.499 13.666 9.731 1.00 43.22 H new ATOM 0 HB ILE A 85 19.385 13.695 12.646 1.00 73.13 H new ATOM 0 HG12 ILE A 85 16.651 13.632 11.321 1.00 43.33 H new ATOM 0 HG13 ILE A 85 17.402 12.324 12.212 1.00 43.33 H new ATOM 0 HG21 ILE A 85 18.263 15.883 12.783 1.00 51.11 H new ATOM 0 HG22 ILE A 85 19.639 15.919 11.655 1.00 51.11 H new ATOM 0 HG23 ILE A 85 17.975 15.842 11.028 1.00 51.11 H new ATOM 0 HD11 ILE A 85 15.729 13.469 13.581 1.00 40.22 H new ATOM 0 HD12 ILE A 85 17.354 13.682 14.274 1.00 40.22 H new ATOM 0 HD13 ILE A 85 16.592 15.011 13.369 1.00 40.22 H new ATOM 1325 N GLY A 86 20.438 15.293 9.475 1.00 60.44 N ATOM 1326 CA GLY A 86 21.621 16.047 9.103 1.00 62.53 C ATOM 1327 C GLY A 86 22.298 15.490 7.866 1.00 2.20 C ATOM 1328 O GLY A 86 23.450 15.817 7.581 1.00 24.33 O ATOM 0 H GLY A 86 19.556 15.696 9.158 1.00 60.44 H new ATOM 0 HA2 GLY A 86 21.345 17.086 8.925 1.00 62.53 H new ATOM 0 HA3 GLY A 86 22.327 16.042 9.933 1.00 62.53 H new ATOM 1332 N ASP A 87 21.582 14.647 7.130 1.00 32.24 N ATOM 1333 CA ASP A 87 22.121 14.043 5.917 1.00 61.00 C ATOM 1334 C ASP A 87 21.344 14.506 4.688 1.00 71.12 C ATOM 1335 O ASP A 87 20.116 14.589 4.713 1.00 11.21 O ATOM 1336 CB ASP A 87 22.079 12.517 6.019 1.00 12.40 C ATOM 1337 CG ASP A 87 23.429 11.881 5.750 1.00 14.42 C ATOM 1338 OD1 ASP A 87 24.014 12.160 4.683 1.00 41.44 O ATOM 1339 OD2 ASP A 87 23.899 11.107 6.608 1.00 24.20 O ATOM 0 H ASP A 87 20.627 14.366 7.352 1.00 32.24 H new ATOM 0 HA ASP A 87 23.158 14.363 5.811 1.00 61.00 H new ATOM 0 HB2 ASP A 87 21.738 12.232 7.014 1.00 12.40 H new ATOM 0 HB3 ASP A 87 21.349 12.128 5.309 1.00 12.40 H new ATOM 1344 N TYR A 88 22.067 14.804 3.615 1.00 12.31 N ATOM 1345 CA TYR A 88 21.445 15.262 2.378 1.00 43.23 C ATOM 1346 C TYR A 88 20.478 14.215 1.835 1.00 13.22 C ATOM 1347 O TYR A 88 20.694 13.013 1.990 1.00 4.10 O ATOM 1348 CB TYR A 88 22.516 15.576 1.330 1.00 30.53 C ATOM 1349 CG TYR A 88 21.951 16.054 0.012 1.00 64.03 C ATOM 1350 CD1 TYR A 88 21.603 15.150 -0.985 1.00 14.33 C ATOM 1351 CD2 TYR A 88 21.765 17.408 -0.236 1.00 50.42 C ATOM 1352 CE1 TYR A 88 21.087 15.583 -2.191 1.00 51.11 C ATOM 1353 CE2 TYR A 88 21.249 17.849 -1.439 1.00 14.31 C ATOM 1354 CZ TYR A 88 20.912 16.933 -2.414 1.00 0.34 C ATOM 1355 OH TYR A 88 20.398 17.368 -3.613 1.00 75.02 O ATOM 0 H TYR A 88 23.084 14.737 3.576 1.00 12.31 H new ATOM 0 HA TYR A 88 20.883 16.170 2.598 1.00 43.23 H new ATOM 0 HB2 TYR A 88 23.187 16.338 1.726 1.00 30.53 H new ATOM 0 HB3 TYR A 88 23.115 14.682 1.156 1.00 30.53 H new ATOM 0 HD1 TYR A 88 21.738 14.092 -0.814 1.00 14.33 H new ATOM 0 HD2 TYR A 88 22.028 18.128 0.525 1.00 50.42 H new ATOM 0 HE1 TYR A 88 20.822 14.868 -2.956 1.00 51.11 H new ATOM 0 HE2 TYR A 88 21.110 18.905 -1.615 1.00 14.31 H new ATOM 0 HH TYR A 88 20.338 18.346 -3.607 1.00 75.02 H new ATOM 1365 N VAL A 89 19.409 14.681 1.196 1.00 5.44 N ATOM 1366 CA VAL A 89 18.409 13.787 0.627 1.00 70.43 C ATOM 1367 C VAL A 89 17.803 14.376 -0.642 1.00 33.34 C ATOM 1368 O VAL A 89 17.670 15.592 -0.771 1.00 53.11 O ATOM 1369 CB VAL A 89 17.280 13.494 1.634 1.00 44.22 C ATOM 1370 CG1 VAL A 89 17.813 12.701 2.818 1.00 0.55 C ATOM 1371 CG2 VAL A 89 16.632 14.790 2.098 1.00 62.23 C ATOM 0 H VAL A 89 19.214 15.673 1.060 1.00 5.44 H new ATOM 0 HA VAL A 89 18.920 12.855 0.383 1.00 70.43 H new ATOM 0 HB VAL A 89 16.520 12.892 1.137 1.00 44.22 H new ATOM 0 HG11 VAL A 89 17.002 12.503 3.519 1.00 0.55 H new ATOM 0 HG12 VAL A 89 18.227 11.756 2.466 1.00 0.55 H new ATOM 0 HG13 VAL A 89 18.593 13.275 3.319 1.00 0.55 H new ATOM 0 HG21 VAL A 89 15.837 14.565 2.809 1.00 62.23 H new ATOM 0 HG22 VAL A 89 17.381 15.420 2.579 1.00 62.23 H new ATOM 0 HG23 VAL A 89 16.213 15.315 1.239 1.00 62.23 H new ATOM 1381 N SER A 90 17.435 13.504 -1.575 1.00 51.04 N ATOM 1382 CA SER A 90 16.846 13.938 -2.837 1.00 30.53 C ATOM 1383 C SER A 90 15.326 14.021 -2.726 1.00 45.32 C ATOM 1384 O SER A 90 14.757 13.794 -1.659 1.00 24.12 O ATOM 1385 CB SER A 90 17.235 12.979 -3.963 1.00 2.23 C ATOM 1386 OG SER A 90 17.859 13.671 -5.030 1.00 54.31 O ATOM 0 H SER A 90 17.534 12.493 -1.481 1.00 51.04 H new ATOM 0 HA SER A 90 17.231 14.931 -3.067 1.00 30.53 H new ATOM 0 HB2 SER A 90 17.910 12.215 -3.577 1.00 2.23 H new ATOM 0 HB3 SER A 90 16.347 12.464 -4.329 1.00 2.23 H new ATOM 0 HG SER A 90 18.099 13.035 -5.736 1.00 54.31 H new ATOM 1392 N ALA A 91 14.675 14.347 -3.837 1.00 40.12 N ATOM 1393 CA ALA A 91 13.222 14.457 -3.867 1.00 2.42 C ATOM 1394 C ALA A 91 12.564 13.097 -3.664 1.00 53.31 C ATOM 1395 O ALA A 91 12.208 12.730 -2.544 1.00 50.40 O ATOM 1396 CB ALA A 91 12.767 15.076 -5.181 1.00 33.55 C ATOM 0 H ALA A 91 15.131 14.540 -4.729 1.00 40.12 H new ATOM 0 HA ALA A 91 12.914 15.105 -3.047 1.00 2.42 H new ATOM 0 HB1 ALA A 91 11.680 15.152 -5.190 1.00 33.55 H new ATOM 0 HB2 ALA A 91 13.201 16.070 -5.284 1.00 33.55 H new ATOM 0 HB3 ALA A 91 13.094 14.449 -6.011 1.00 33.55 H new ATOM 1402 N SER A 92 12.404 12.354 -4.754 1.00 55.21 N ATOM 1403 CA SER A 92 11.783 11.036 -4.696 1.00 2.01 C ATOM 1404 C SER A 92 12.842 9.937 -4.674 1.00 50.11 C ATOM 1405 O SER A 92 12.523 8.752 -4.575 1.00 3.01 O ATOM 1406 CB SER A 92 10.849 10.835 -5.890 1.00 62.05 C ATOM 1407 OG SER A 92 10.600 9.458 -6.118 1.00 43.30 O ATOM 0 H SER A 92 12.696 12.642 -5.688 1.00 55.21 H new ATOM 0 HA SER A 92 11.202 10.976 -3.776 1.00 2.01 H new ATOM 0 HB2 SER A 92 9.907 11.353 -5.710 1.00 62.05 H new ATOM 0 HB3 SER A 92 11.292 11.280 -6.781 1.00 62.05 H new ATOM 0 HG SER A 92 11.212 8.920 -5.573 1.00 43.30 H new ATOM 1413 N THR A 93 14.105 10.340 -4.767 1.00 44.25 N ATOM 1414 CA THR A 93 15.213 9.392 -4.760 1.00 35.24 C ATOM 1415 C THR A 93 15.512 8.908 -3.346 1.00 1.40 C ATOM 1416 O THR A 93 16.039 7.812 -3.152 1.00 32.22 O ATOM 1417 CB THR A 93 16.488 10.014 -5.358 1.00 60.04 C ATOM 1418 OG1 THR A 93 16.147 11.134 -6.183 1.00 61.40 O ATOM 1419 CG2 THR A 93 17.256 8.989 -6.179 1.00 63.13 C ATOM 0 H THR A 93 14.387 11.317 -4.848 1.00 44.25 H new ATOM 0 HA THR A 93 14.909 8.545 -5.375 1.00 35.24 H new ATOM 0 HB THR A 93 17.122 10.348 -4.537 1.00 60.04 H new ATOM 0 HG1 THR A 93 16.964 11.525 -6.558 1.00 61.40 H new ATOM 0 HG21 THR A 93 18.153 9.451 -6.591 1.00 63.13 H new ATOM 0 HG22 THR A 93 17.540 8.151 -5.542 1.00 63.13 H new ATOM 0 HG23 THR A 93 16.626 8.629 -6.993 1.00 63.13 H new ATOM 1427 N THR A 94 15.172 9.731 -2.359 1.00 73.02 N ATOM 1428 CA THR A 94 15.405 9.387 -0.962 1.00 61.32 C ATOM 1429 C THR A 94 14.165 8.759 -0.336 1.00 60.05 C ATOM 1430 O THR A 94 13.272 9.462 0.133 1.00 15.33 O ATOM 1431 CB THR A 94 15.811 10.624 -0.138 1.00 63.45 C ATOM 1432 OG1 THR A 94 17.125 11.052 -0.512 1.00 42.32 O ATOM 1433 CG2 THR A 94 15.776 10.317 1.351 1.00 3.42 C ATOM 0 H THR A 94 14.734 10.641 -2.502 1.00 73.02 H new ATOM 0 HA THR A 94 16.222 8.665 -0.947 1.00 61.32 H new ATOM 0 HB THR A 94 15.098 11.422 -0.345 1.00 63.45 H new ATOM 0 HG1 THR A 94 17.355 10.676 -1.388 1.00 42.32 H new ATOM 0 HG21 THR A 94 16.066 11.205 1.913 1.00 3.42 H new ATOM 0 HG22 THR A 94 14.767 10.020 1.638 1.00 3.42 H new ATOM 0 HG23 THR A 94 16.469 9.505 1.572 1.00 3.42 H new ATOM 1441 N GLU A 95 14.118 7.430 -0.333 1.00 23.21 N ATOM 1442 CA GLU A 95 12.986 6.708 0.236 1.00 72.44 C ATOM 1443 C GLU A 95 13.288 6.260 1.662 1.00 24.43 C ATOM 1444 O GLU A 95 13.331 5.063 1.954 1.00 10.10 O ATOM 1445 CB GLU A 95 12.640 5.495 -0.630 1.00 63.31 C ATOM 1446 CG GLU A 95 13.841 4.630 -0.973 1.00 44.23 C ATOM 1447 CD GLU A 95 13.550 3.148 -0.844 1.00 70.32 C ATOM 1448 OE1 GLU A 95 12.457 2.718 -1.270 1.00 73.14 O ATOM 1449 OE2 GLU A 95 14.414 2.417 -0.316 1.00 41.34 O ATOM 0 H GLU A 95 14.850 6.833 -0.718 1.00 23.21 H new ATOM 0 HA GLU A 95 12.131 7.384 0.260 1.00 72.44 H new ATOM 0 HB2 GLU A 95 11.901 4.886 -0.109 1.00 63.31 H new ATOM 0 HB3 GLU A 95 12.175 5.839 -1.554 1.00 63.31 H new ATOM 0 HG2 GLU A 95 14.160 4.846 -1.993 1.00 44.23 H new ATOM 0 HG3 GLU A 95 14.671 4.892 -0.317 1.00 44.23 H new ATOM 1456 N LEU A 96 13.497 7.227 2.549 1.00 51.14 N ATOM 1457 CA LEU A 96 13.796 6.933 3.945 1.00 11.05 C ATOM 1458 C LEU A 96 12.883 5.834 4.478 1.00 34.11 C ATOM 1459 O LEU A 96 13.347 4.771 4.890 1.00 41.10 O ATOM 1460 CB LEU A 96 13.644 8.195 4.796 1.00 13.34 C ATOM 1461 CG LEU A 96 12.569 9.184 4.344 1.00 52.14 C ATOM 1462 CD1 LEU A 96 11.730 9.641 5.528 1.00 23.02 C ATOM 1463 CD2 LEU A 96 13.203 10.378 3.645 1.00 31.00 C ATOM 0 H LEU A 96 13.465 8.222 2.325 1.00 51.14 H new ATOM 0 HA LEU A 96 14.827 6.584 4.004 1.00 11.05 H new ATOM 0 HB2 LEU A 96 13.425 7.894 5.820 1.00 13.34 H new ATOM 0 HB3 LEU A 96 14.602 8.714 4.814 1.00 13.34 H new ATOM 0 HG LEU A 96 11.913 8.678 3.635 1.00 52.14 H new ATOM 0 HD11 LEU A 96 10.971 10.344 5.186 1.00 23.02 H new ATOM 0 HD12 LEU A 96 11.246 8.778 5.985 1.00 23.02 H new ATOM 0 HD13 LEU A 96 12.372 10.128 6.262 1.00 23.02 H new ATOM 0 HD21 LEU A 96 12.423 11.071 3.330 1.00 31.00 H new ATOM 0 HD22 LEU A 96 13.882 10.883 4.332 1.00 31.00 H new ATOM 0 HD23 LEU A 96 13.758 10.036 2.772 1.00 31.00 H new ATOM 1475 N VAL A 97 11.579 6.097 4.466 1.00 43.00 N ATOM 1476 CA VAL A 97 10.600 5.128 4.945 1.00 72.21 C ATOM 1477 C VAL A 97 9.398 5.056 4.011 1.00 72.54 C ATOM 1478 O VAL A 97 9.047 6.038 3.355 1.00 32.24 O ATOM 1479 CB VAL A 97 10.114 5.477 6.364 1.00 24.34 C ATOM 1480 CG1 VAL A 97 9.245 6.725 6.339 1.00 34.43 C ATOM 1481 CG2 VAL A 97 9.360 4.304 6.971 1.00 13.00 C ATOM 0 H VAL A 97 11.177 6.972 4.130 1.00 43.00 H new ATOM 0 HA VAL A 97 11.098 4.158 4.968 1.00 72.21 H new ATOM 0 HB VAL A 97 10.984 5.682 6.988 1.00 24.34 H new ATOM 0 HG11 VAL A 97 8.911 6.956 7.350 1.00 34.43 H new ATOM 0 HG12 VAL A 97 9.822 7.563 5.947 1.00 34.43 H new ATOM 0 HG13 VAL A 97 8.378 6.552 5.701 1.00 34.43 H new ATOM 0 HG21 VAL A 97 9.024 4.567 7.974 1.00 13.00 H new ATOM 0 HG22 VAL A 97 8.497 4.066 6.350 1.00 13.00 H new ATOM 0 HG23 VAL A 97 10.019 3.437 7.025 1.00 13.00 H new ATOM 1491 N ARG A 98 8.767 3.887 3.955 1.00 22.44 N ATOM 1492 CA ARG A 98 7.604 3.686 3.101 1.00 14.23 C ATOM 1493 C ARG A 98 6.328 3.597 3.932 1.00 30.43 C ATOM 1494 O ARG A 98 6.367 3.255 5.115 1.00 32.30 O ATOM 1495 CB ARG A 98 7.771 2.415 2.266 1.00 60.50 C ATOM 1496 CG ARG A 98 7.694 1.136 3.083 1.00 64.05 C ATOM 1497 CD ARG A 98 7.933 -0.092 2.217 1.00 21.25 C ATOM 1498 NE ARG A 98 7.682 -1.332 2.947 1.00 72.53 N ATOM 1499 CZ ARG A 98 8.501 -1.823 3.870 1.00 14.12 C ATOM 1500 NH1 ARG A 98 9.620 -1.180 4.176 1.00 63.24 N ATOM 1501 NH2 ARG A 98 8.202 -2.957 4.489 1.00 3.23 N ATOM 0 H ARG A 98 9.043 3.065 4.492 1.00 22.44 H new ATOM 0 HA ARG A 98 7.523 4.543 2.433 1.00 14.23 H new ATOM 0 HB2 ARG A 98 6.999 2.392 1.497 1.00 60.50 H new ATOM 0 HB3 ARG A 98 8.732 2.451 1.753 1.00 60.50 H new ATOM 0 HG2 ARG A 98 8.434 1.168 3.883 1.00 64.05 H new ATOM 0 HG3 ARG A 98 6.715 1.064 3.557 1.00 64.05 H new ATOM 0 HD2 ARG A 98 7.286 -0.050 1.341 1.00 21.25 H new ATOM 0 HD3 ARG A 98 8.961 -0.086 1.855 1.00 21.25 H new ATOM 0 HE ARG A 98 6.829 -1.850 2.736 1.00 72.53 H new ATOM 0 HH11 ARG A 98 9.853 -0.307 3.702 1.00 63.24 H new ATOM 0 HH12 ARG A 98 10.248 -1.558 4.885 1.00 63.24 H new ATOM 0 HH21 ARG A 98 7.342 -3.454 4.256 1.00 3.23 H new ATOM 0 HH22 ARG A 98 8.832 -3.333 5.198 1.00 3.23 H new ATOM 1515 N VAL A 99 5.196 3.907 3.307 1.00 44.23 N ATOM 1516 CA VAL A 99 3.909 3.862 3.989 1.00 60.43 C ATOM 1517 C VAL A 99 2.955 2.893 3.297 1.00 14.13 C ATOM 1518 O VAL A 99 2.741 2.971 2.087 1.00 41.02 O ATOM 1519 CB VAL A 99 3.254 5.255 4.047 1.00 44.55 C ATOM 1520 CG1 VAL A 99 2.952 5.761 2.645 1.00 55.21 C ATOM 1521 CG2 VAL A 99 1.992 5.215 4.893 1.00 35.12 C ATOM 0 H VAL A 99 5.145 4.192 2.329 1.00 44.23 H new ATOM 0 HA VAL A 99 4.101 3.517 5.005 1.00 60.43 H new ATOM 0 HB VAL A 99 3.954 5.948 4.514 1.00 44.55 H new ATOM 0 HG11 VAL A 99 2.490 6.746 2.706 1.00 55.21 H new ATOM 0 HG12 VAL A 99 3.879 5.829 2.075 1.00 55.21 H new ATOM 0 HG13 VAL A 99 2.271 5.070 2.148 1.00 55.21 H new ATOM 0 HG21 VAL A 99 1.542 6.208 4.923 1.00 35.12 H new ATOM 0 HG22 VAL A 99 1.284 4.509 4.458 1.00 35.12 H new ATOM 0 HG23 VAL A 99 2.243 4.900 5.906 1.00 35.12 H new ATOM 1531 N THR A 100 2.382 1.980 4.075 1.00 31.44 N ATOM 1532 CA THR A 100 1.451 0.995 3.539 1.00 60.32 C ATOM 1533 C THR A 100 0.264 0.793 4.474 1.00 61.00 C ATOM 1534 O THR A 100 0.256 1.293 5.598 1.00 54.34 O ATOM 1535 CB THR A 100 2.141 -0.362 3.304 1.00 63.21 C ATOM 1536 OG1 THR A 100 1.253 -1.252 2.621 1.00 61.24 O ATOM 1537 CG2 THR A 100 2.576 -0.983 4.623 1.00 32.21 C ATOM 0 H THR A 100 2.547 1.902 5.079 1.00 31.44 H new ATOM 0 HA THR A 100 1.096 1.384 2.585 1.00 60.32 H new ATOM 0 HB THR A 100 3.026 -0.193 2.691 1.00 63.21 H new ATOM 0 HG1 THR A 100 1.700 -2.112 2.474 1.00 61.24 H new ATOM 0 HG21 THR A 100 3.061 -1.940 4.432 1.00 32.21 H new ATOM 0 HG22 THR A 100 3.276 -0.316 5.126 1.00 32.21 H new ATOM 0 HG23 THR A 100 1.703 -1.138 5.257 1.00 32.21 H new ATOM 1545 N ASN A 101 -0.736 0.056 4.002 1.00 21.32 N ATOM 1546 CA ASN A 101 -1.929 -0.212 4.798 1.00 43.13 C ATOM 1547 C ASN A 101 -2.690 1.078 5.089 1.00 2.43 C ATOM 1548 O ASN A 101 -2.373 1.799 6.037 1.00 61.53 O ATOM 1549 CB ASN A 101 -1.548 -0.900 6.110 1.00 31.33 C ATOM 1550 CG ASN A 101 -2.020 -2.340 6.168 1.00 51.32 C ATOM 1551 OD1 ASN A 101 -1.241 -3.269 5.960 1.00 62.31 O ATOM 1552 ND2 ASN A 101 -3.304 -2.530 6.450 1.00 42.13 N ATOM 0 H ASN A 101 -0.744 -0.366 3.073 1.00 21.32 H new ATOM 0 HA ASN A 101 -2.578 -0.874 4.224 1.00 43.13 H new ATOM 0 HB2 ASN A 101 -0.465 -0.871 6.231 1.00 31.33 H new ATOM 0 HB3 ASN A 101 -1.977 -0.346 6.945 1.00 31.33 H new ATOM 0 HD21 ASN A 101 -3.680 -3.477 6.501 1.00 42.13 H new ATOM 0 HD22 ASN A 101 -3.914 -1.729 6.615 1.00 42.13 H new ATOM 1559 N LEU A 102 -3.695 1.363 4.269 1.00 63.41 N ATOM 1560 CA LEU A 102 -4.503 2.566 4.438 1.00 71.43 C ATOM 1561 C LEU A 102 -5.928 2.339 3.944 1.00 73.12 C ATOM 1562 O LEU A 102 -6.205 1.367 3.242 1.00 24.20 O ATOM 1563 CB LEU A 102 -3.870 3.738 3.686 1.00 74.34 C ATOM 1564 CG LEU A 102 -3.144 3.389 2.387 1.00 70.34 C ATOM 1565 CD1 LEU A 102 -1.798 2.748 2.684 1.00 24.14 C ATOM 1566 CD2 LEU A 102 -3.998 2.466 1.529 1.00 22.05 C ATOM 0 H LEU A 102 -3.970 0.778 3.480 1.00 63.41 H new ATOM 0 HA LEU A 102 -4.541 2.803 5.501 1.00 71.43 H new ATOM 0 HB2 LEU A 102 -4.652 4.462 3.458 1.00 74.34 H new ATOM 0 HB3 LEU A 102 -3.163 4.232 4.353 1.00 74.34 H new ATOM 0 HG LEU A 102 -2.970 4.311 1.832 1.00 70.34 H new ATOM 0 HD11 LEU A 102 -1.296 2.506 1.747 1.00 24.14 H new ATOM 0 HD12 LEU A 102 -1.183 3.442 3.257 1.00 24.14 H new ATOM 0 HD13 LEU A 102 -1.949 1.835 3.261 1.00 24.14 H new ATOM 0 HD21 LEU A 102 -3.465 2.228 0.608 1.00 22.05 H new ATOM 0 HD22 LEU A 102 -4.203 1.546 2.077 1.00 22.05 H new ATOM 0 HD23 LEU A 102 -4.938 2.961 1.286 1.00 22.05 H new ATOM 1578 N ASN A 103 -6.829 3.244 4.313 1.00 42.23 N ATOM 1579 CA ASN A 103 -8.225 3.143 3.906 1.00 51.02 C ATOM 1580 C ASN A 103 -8.423 3.702 2.499 1.00 34.32 C ATOM 1581 O ASN A 103 -7.667 4.552 2.030 1.00 0.14 O ATOM 1582 CB ASN A 103 -9.122 3.891 4.894 1.00 3.32 C ATOM 1583 CG ASN A 103 -8.614 3.797 6.320 1.00 73.00 C ATOM 1584 OD1 ASN A 103 -8.184 4.792 6.905 1.00 43.22 O ATOM 1585 ND2 ASN A 103 -8.662 2.597 6.887 1.00 2.34 N ATOM 0 H ASN A 103 -6.617 4.056 4.893 1.00 42.23 H new ATOM 0 HA ASN A 103 -8.501 2.088 3.902 1.00 51.02 H new ATOM 0 HB2 ASN A 103 -9.185 4.939 4.602 1.00 3.32 H new ATOM 0 HB3 ASN A 103 -10.132 3.485 4.843 1.00 3.32 H new ATOM 0 HD21 ASN A 103 -8.335 2.472 7.845 1.00 2.34 H new ATOM 0 HD22 ASN A 103 -9.026 1.800 6.365 1.00 2.34 H new ATOM 1592 N PRO A 104 -9.465 3.213 1.810 1.00 34.01 N ATOM 1593 CA PRO A 104 -9.788 3.650 0.448 1.00 22.45 C ATOM 1594 C PRO A 104 -10.308 5.082 0.407 1.00 45.24 C ATOM 1595 O PRO A 104 -11.488 5.331 0.653 1.00 11.33 O ATOM 1596 CB PRO A 104 -10.882 2.672 0.013 1.00 61.31 C ATOM 1597 CG PRO A 104 -11.510 2.214 1.284 1.00 41.54 C ATOM 1598 CD PRO A 104 -10.408 2.197 2.308 1.00 41.14 C ATOM 0 HA PRO A 104 -8.911 3.647 -0.200 1.00 22.45 H new ATOM 0 HB2 PRO A 104 -11.611 3.157 -0.636 1.00 61.31 H new ATOM 0 HB3 PRO A 104 -10.465 1.835 -0.546 1.00 61.31 H new ATOM 0 HG2 PRO A 104 -12.313 2.886 1.586 1.00 41.54 H new ATOM 0 HG3 PRO A 104 -11.950 1.223 1.167 1.00 41.54 H new ATOM 0 HD2 PRO A 104 -10.779 2.446 3.302 1.00 41.14 H new ATOM 0 HD3 PRO A 104 -9.940 1.215 2.379 1.00 41.14 H new ATOM 1606 N ILE A 105 -9.420 6.020 0.093 1.00 24.12 N ATOM 1607 CA ILE A 105 -9.789 7.427 0.018 1.00 13.23 C ATOM 1608 C ILE A 105 -9.906 7.889 -1.431 1.00 25.34 C ATOM 1609 O ILE A 105 -9.194 7.400 -2.308 1.00 24.33 O ATOM 1610 CB ILE A 105 -8.767 8.318 0.748 1.00 11.14 C ATOM 1611 CG1 ILE A 105 -8.522 7.796 2.165 1.00 62.33 C ATOM 1612 CG2 ILE A 105 -9.252 9.760 0.786 1.00 22.04 C ATOM 1613 CD1 ILE A 105 -9.777 7.717 3.006 1.00 72.33 C ATOM 0 H ILE A 105 -8.439 5.830 -0.114 1.00 24.12 H new ATOM 0 HA ILE A 105 -10.758 7.524 0.507 1.00 13.23 H new ATOM 0 HB ILE A 105 -7.825 8.286 0.201 1.00 11.14 H new ATOM 0 HG12 ILE A 105 -8.071 6.805 2.106 1.00 62.33 H new ATOM 0 HG13 ILE A 105 -7.801 8.445 2.663 1.00 62.33 H new ATOM 0 HG21 ILE A 105 -8.519 10.377 1.305 1.00 22.04 H new ATOM 0 HG22 ILE A 105 -9.380 10.128 -0.232 1.00 22.04 H new ATOM 0 HG23 ILE A 105 -10.205 9.809 1.312 1.00 22.04 H new ATOM 0 HD11 ILE A 105 -9.527 7.339 3.997 1.00 72.33 H new ATOM 0 HD12 ILE A 105 -10.217 8.710 3.097 1.00 72.33 H new ATOM 0 HD13 ILE A 105 -10.492 7.045 2.531 1.00 72.33 H new ATOM 1625 N TYR A 106 -10.807 8.833 -1.674 1.00 53.41 N ATOM 1626 CA TYR A 106 -11.017 9.361 -3.016 1.00 53.24 C ATOM 1627 C TYR A 106 -11.796 10.673 -2.971 1.00 1.24 C ATOM 1628 O TYR A 106 -12.518 11.012 -3.908 1.00 72.23 O ATOM 1629 CB TYR A 106 -11.765 8.342 -3.877 1.00 60.24 C ATOM 1630 CG TYR A 106 -12.890 7.643 -3.147 1.00 3.30 C ATOM 1631 CD1 TYR A 106 -12.661 6.474 -2.431 1.00 3.33 C ATOM 1632 CD2 TYR A 106 -14.183 8.153 -3.173 1.00 65.54 C ATOM 1633 CE1 TYR A 106 -13.686 5.833 -1.764 1.00 2.15 C ATOM 1634 CE2 TYR A 106 -15.214 7.517 -2.508 1.00 2.33 C ATOM 1635 CZ TYR A 106 -14.961 6.358 -1.805 1.00 62.11 C ATOM 1636 OH TYR A 106 -15.984 5.722 -1.140 1.00 43.52 O ATOM 0 H TYR A 106 -11.404 9.249 -0.959 1.00 53.41 H new ATOM 0 HA TYR A 106 -10.040 9.554 -3.459 1.00 53.24 H new ATOM 0 HB2 TYR A 106 -12.170 8.847 -4.754 1.00 60.24 H new ATOM 0 HB3 TYR A 106 -11.058 7.595 -4.238 1.00 60.24 H new ATOM 0 HD1 TYR A 106 -11.664 6.060 -2.396 1.00 3.33 H new ATOM 0 HD2 TYR A 106 -14.385 9.061 -3.722 1.00 65.54 H new ATOM 0 HE1 TYR A 106 -13.490 4.925 -1.213 1.00 2.15 H new ATOM 0 HE2 TYR A 106 -16.213 7.926 -2.539 1.00 2.33 H new ATOM 0 HH TYR A 106 -16.818 6.221 -1.268 1.00 43.52 H new ATOM 1646 N ALA A 107 -11.642 11.407 -1.873 1.00 64.45 N ATOM 1647 CA ALA A 107 -12.327 12.682 -1.705 1.00 70.23 C ATOM 1648 C ALA A 107 -11.803 13.430 -0.484 1.00 51.50 C ATOM 1649 O ALA A 107 -10.928 12.939 0.228 1.00 21.52 O ATOM 1650 CB ALA A 107 -13.829 12.463 -1.588 1.00 3.20 C ATOM 0 H ALA A 107 -11.049 11.140 -1.087 1.00 64.45 H new ATOM 0 HA ALA A 107 -12.127 13.292 -2.586 1.00 70.23 H new ATOM 0 HB1 ALA A 107 -14.328 13.424 -1.463 1.00 3.20 H new ATOM 0 HB2 ALA A 107 -14.197 11.978 -2.492 1.00 3.20 H new ATOM 0 HB3 ALA A 107 -14.038 11.830 -0.725 1.00 3.20 H new ATOM 1656 N ASP A 108 -12.343 14.621 -0.250 1.00 31.52 N ATOM 1657 CA ASP A 108 -11.929 15.437 0.886 1.00 12.23 C ATOM 1658 C ASP A 108 -12.687 15.036 2.148 1.00 50.44 C ATOM 1659 O ASP A 108 -13.717 14.367 2.079 1.00 12.03 O ATOM 1660 CB ASP A 108 -12.159 16.919 0.586 1.00 10.23 C ATOM 1661 CG ASP A 108 -10.876 17.643 0.229 1.00 14.53 C ATOM 1662 OD1 ASP A 108 -9.833 17.343 0.847 1.00 40.52 O ATOM 1663 OD2 ASP A 108 -10.916 18.511 -0.669 1.00 63.34 O ATOM 0 H ASP A 108 -13.068 15.043 -0.831 1.00 31.52 H new ATOM 0 HA ASP A 108 -10.865 15.269 1.055 1.00 12.23 H new ATOM 0 HB2 ASP A 108 -12.868 17.014 -0.237 1.00 10.23 H new ATOM 0 HB3 ASP A 108 -12.613 17.396 1.455 1.00 10.23 H new ATOM 1668 N GLY A 109 -12.168 15.451 3.301 1.00 73.14 N ATOM 1669 CA GLY A 109 -12.808 15.125 4.561 1.00 21.55 C ATOM 1670 C GLY A 109 -12.460 16.109 5.660 1.00 51.10 C ATOM 1671 O GLY A 109 -13.318 16.861 6.123 1.00 45.10 O ATOM 0 H GLY A 109 -11.317 16.007 3.384 1.00 73.14 H new ATOM 0 HA2 GLY A 109 -13.889 15.108 4.422 1.00 21.55 H new ATOM 0 HA3 GLY A 109 -12.510 14.122 4.868 1.00 21.55 H new ATOM 1675 N SER A 110 -11.198 16.104 6.079 1.00 60.11 N ATOM 1676 CA SER A 110 -10.740 17.000 7.135 1.00 50.13 C ATOM 1677 C SER A 110 -10.910 18.459 6.720 1.00 22.14 C ATOM 1678 O SER A 110 -11.663 19.209 7.341 1.00 3.12 O ATOM 1679 CB SER A 110 -9.273 16.720 7.469 1.00 72.33 C ATOM 1680 OG SER A 110 -9.020 16.914 8.850 1.00 72.02 O ATOM 0 H SER A 110 -10.475 15.490 5.704 1.00 60.11 H new ATOM 0 HA SER A 110 -11.348 16.819 8.021 1.00 50.13 H new ATOM 0 HB2 SER A 110 -9.022 15.697 7.190 1.00 72.33 H new ATOM 0 HB3 SER A 110 -8.631 17.377 6.882 1.00 72.33 H new ATOM 0 HG SER A 110 -8.077 16.727 9.039 1.00 72.02 H new ATOM 1686 N HIS A 111 -10.202 18.854 5.666 1.00 20.03 N ATOM 1687 CA HIS A 111 -10.274 20.223 5.167 1.00 62.33 C ATOM 1688 C HIS A 111 -9.858 21.217 6.247 1.00 50.11 C ATOM 1689 O HIS A 111 -10.690 21.694 7.019 1.00 12.21 O ATOM 1690 CB HIS A 111 -11.689 20.539 4.684 1.00 35.42 C ATOM 1691 CG HIS A 111 -11.742 21.626 3.655 1.00 71.32 C ATOM 1692 ND1 HIS A 111 -10.901 22.718 3.669 1.00 20.42 N ATOM 1693 CD2 HIS A 111 -12.543 21.784 2.574 1.00 22.25 C ATOM 1694 CE1 HIS A 111 -11.182 23.501 2.644 1.00 3.12 C ATOM 1695 NE2 HIS A 111 -12.175 22.956 1.963 1.00 2.35 N ATOM 0 H HIS A 111 -9.573 18.246 5.142 1.00 20.03 H new ATOM 0 HA HIS A 111 -9.584 20.315 4.328 1.00 62.33 H new ATOM 0 HB2 HIS A 111 -12.133 19.634 4.268 1.00 35.42 H new ATOM 0 HB3 HIS A 111 -12.300 20.829 5.539 1.00 35.42 H new ATOM 0 HD2 HIS A 111 -13.326 21.112 2.253 1.00 22.25 H new ATOM 0 HE1 HIS A 111 -10.685 24.429 2.403 1.00 3.12 H new ATOM 0 HE2 HIS A 111 -12.599 23.344 1.120 1.00 2.35 H new ATOM 1703 N HIS A 112 -8.565 21.524 6.297 1.00 55.15 N ATOM 1704 CA HIS A 112 -8.040 22.462 7.282 1.00 20.13 C ATOM 1705 C HIS A 112 -7.937 23.866 6.695 1.00 13.24 C ATOM 1706 O HIS A 112 -7.771 24.035 5.486 1.00 14.20 O ATOM 1707 CB HIS A 112 -6.667 22.001 7.775 1.00 72.43 C ATOM 1708 CG HIS A 112 -6.502 22.094 9.260 1.00 11.23 C ATOM 1709 ND1 HIS A 112 -5.723 23.054 9.871 1.00 14.54 N ATOM 1710 CD2 HIS A 112 -7.022 21.343 10.259 1.00 45.04 C ATOM 1711 CE1 HIS A 112 -5.769 22.888 11.181 1.00 72.14 C ATOM 1712 NE2 HIS A 112 -6.551 21.856 11.442 1.00 41.05 N ATOM 0 H HIS A 112 -7.863 21.137 5.667 1.00 55.15 H new ATOM 0 HA HIS A 112 -8.731 22.490 8.125 1.00 20.13 H new ATOM 0 HB2 HIS A 112 -6.506 20.969 7.464 1.00 72.43 H new ATOM 0 HB3 HIS A 112 -5.896 22.603 7.294 1.00 72.43 H new ATOM 0 HD2 HIS A 112 -7.684 20.497 10.146 1.00 45.04 H new ATOM 0 HE1 HIS A 112 -5.255 23.493 11.913 1.00 72.14 H new ATOM 0 HE2 HIS A 112 -6.770 21.498 12.372 1.00 41.05 H new ATOM 1720 N HIS A 113 -8.037 24.873 7.559 1.00 61.10 N ATOM 1721 CA HIS A 113 -7.956 26.263 7.125 1.00 4.41 C ATOM 1722 C HIS A 113 -6.661 26.908 7.611 1.00 31.51 C ATOM 1723 O HIS A 113 -5.876 27.425 6.815 1.00 32.33 O ATOM 1724 CB HIS A 113 -9.158 27.052 7.644 1.00 62.35 C ATOM 1725 CG HIS A 113 -10.156 27.389 6.579 1.00 35.43 C ATOM 1726 ND1 HIS A 113 -10.571 26.487 5.622 1.00 11.23 N ATOM 1727 CD2 HIS A 113 -10.825 28.538 6.325 1.00 53.13 C ATOM 1728 CE1 HIS A 113 -11.450 27.066 4.825 1.00 1.40 C ATOM 1729 NE2 HIS A 113 -11.622 28.312 5.229 1.00 0.44 N ATOM 0 H HIS A 113 -8.174 24.752 8.562 1.00 61.10 H new ATOM 0 HA HIS A 113 -7.964 26.279 6.035 1.00 4.41 H new ATOM 0 HB2 HIS A 113 -9.653 26.474 8.425 1.00 62.35 H new ATOM 0 HB3 HIS A 113 -8.805 27.974 8.106 1.00 62.35 H new ATOM 0 HD2 HIS A 113 -10.747 29.461 6.881 1.00 53.13 H new ATOM 0 HE1 HIS A 113 -11.944 26.600 3.985 1.00 1.40 H new ATOM 0 HE2 HIS A 113 -12.245 28.995 4.798 1.00 0.44 H new ATOM 1737 N HIS A 114 -6.446 26.876 8.922 1.00 23.53 N ATOM 1738 CA HIS A 114 -5.247 27.458 9.515 1.00 44.24 C ATOM 1739 C HIS A 114 -5.192 28.962 9.264 1.00 45.14 C ATOM 1740 O HIS A 114 -5.915 29.487 8.417 1.00 73.21 O ATOM 1741 CB HIS A 114 -3.994 26.788 8.946 1.00 35.33 C ATOM 1742 CG HIS A 114 -3.150 26.118 9.986 1.00 12.33 C ATOM 1743 ND1 HIS A 114 -2.428 24.969 9.743 1.00 3.44 N ATOM 1744 CD2 HIS A 114 -2.912 26.444 11.278 1.00 32.43 C ATOM 1745 CE1 HIS A 114 -1.784 24.615 10.841 1.00 0.42 C ATOM 1746 NE2 HIS A 114 -2.061 25.494 11.787 1.00 14.14 N ATOM 0 H HIS A 114 -7.086 26.453 9.594 1.00 23.53 H new ATOM 0 HA HIS A 114 -5.284 27.288 10.591 1.00 44.24 H new ATOM 0 HB2 HIS A 114 -4.293 26.050 8.201 1.00 35.33 H new ATOM 0 HB3 HIS A 114 -3.394 27.537 8.430 1.00 35.33 H new ATOM 0 HD2 HIS A 114 -3.316 27.293 11.809 1.00 32.43 H new ATOM 0 HE1 HIS A 114 -1.141 23.754 10.947 1.00 0.42 H new ATOM 0 HE2 HIS A 114 -1.701 25.471 12.741 1.00 14.14 H new ATOM 1754 N HIS A 115 -4.328 29.650 10.004 1.00 20.11 N ATOM 1755 CA HIS A 115 -4.179 31.094 9.862 1.00 21.11 C ATOM 1756 C HIS A 115 -2.840 31.441 9.218 1.00 52.13 C ATOM 1757 O HIS A 115 -1.785 31.280 9.832 1.00 52.25 O ATOM 1758 CB HIS A 115 -4.296 31.776 11.225 1.00 2.34 C ATOM 1759 CG HIS A 115 -5.679 32.255 11.539 1.00 31.03 C ATOM 1760 ND1 HIS A 115 -6.519 31.605 12.418 1.00 34.42 N ATOM 1761 CD2 HIS A 115 -6.368 33.329 11.088 1.00 15.00 C ATOM 1762 CE1 HIS A 115 -7.665 32.256 12.492 1.00 74.30 C ATOM 1763 NE2 HIS A 115 -7.600 33.307 11.695 1.00 63.22 N ATOM 0 H HIS A 115 -3.721 29.231 10.708 1.00 20.11 H new ATOM 0 HA HIS A 115 -4.978 31.456 9.214 1.00 21.11 H new ATOM 0 HB2 HIS A 115 -3.978 31.078 12.000 1.00 2.34 H new ATOM 0 HB3 HIS A 115 -3.611 32.623 11.258 1.00 2.34 H new ATOM 0 HD2 HIS A 115 -6.015 34.066 10.382 1.00 15.00 H new ATOM 0 HE1 HIS A 115 -8.512 31.977 13.101 1.00 74.30 H new ATOM 0 HE2 HIS A 115 -8.343 33.991 11.553 1.00 63.22 H new ATOM 1771 N HIS A 116 -2.892 31.916 7.977 1.00 25.34 N ATOM 1772 CA HIS A 116 -1.682 32.285 7.250 1.00 3.44 C ATOM 1773 C HIS A 116 -2.028 33.030 5.964 1.00 10.23 C ATOM 1774 O HIS A 116 -3.208 33.170 5.648 1.00 22.20 O ATOM 1775 CB HIS A 116 -0.856 31.040 6.927 1.00 42.44 C ATOM 1776 CG HIS A 116 -1.504 30.137 5.922 1.00 32.54 C ATOM 1777 ND1 HIS A 116 -2.212 29.006 6.275 1.00 41.54 N ATOM 1778 CD2 HIS A 116 -1.551 30.202 4.572 1.00 63.10 C ATOM 1779 CE1 HIS A 116 -2.664 28.415 5.183 1.00 23.21 C ATOM 1780 NE2 HIS A 116 -2.276 29.121 4.136 1.00 15.10 N ATOM 0 H HIS A 116 -3.757 32.054 7.455 1.00 25.34 H new ATOM 0 HA HIS A 116 -1.093 32.947 7.885 1.00 3.44 H new ATOM 0 HB2 HIS A 116 0.119 31.348 6.551 1.00 42.44 H new ATOM 0 HB3 HIS A 116 -0.681 30.481 7.846 1.00 42.44 H new ATOM 0 HD2 HIS A 116 -1.101 30.963 3.952 1.00 63.10 H new ATOM 0 HE1 HIS A 116 -3.251 27.509 5.152 1.00 23.21 H new ATOM 0 HE2 HIS A 116 -2.482 28.899 3.162 1.00 15.10 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 14.291 34.770 0.018 1.00 13.22 C HETATM 1790 N2 B6D A 117 12.390 35.042 -1.519 1.00 42.33 N HETATM 1791 C3 B6D A 117 13.299 37.056 -0.354 1.00 30.42 C HETATM 1792 C4 B6D A 117 13.926 37.528 0.971 1.00 2.15 C HETATM 1793 C5 B6D A 117 15.194 36.714 1.302 1.00 65.01 C HETATM 1794 C6 B6D A 117 15.767 36.996 2.691 1.00 71.05 C HETATM 1795 C7 B6D A 117 11.145 34.464 -1.614 1.00 54.41 C HETATM 1796 C8 B6D A 117 10.783 33.871 -2.998 1.00 62.32 C HETATM 1797 C9 B6D A 117 14.775 41.226 1.716 1.00 64.43 C HETATM 1798 C2 B6D A 117 12.991 35.543 -0.274 1.00 24.01 C HETATM 1799 O7 B6D A 117 10.344 34.427 -0.699 1.00 15.30 O HETATM 1800 N4 B6D A 117 14.253 38.959 0.909 1.00 33.33 N HETATM 1801 C10 B6D A 117 14.307 39.786 2.004 1.00 71.53 C HETATM 1802 O10 B6D A 117 14.031 39.432 3.137 1.00 33.20 O HETATM 1803 O5 B6D A 117 14.866 35.268 1.284 1.00 42.11 O HETATM 1804 O3 B6D A 117 12.047 37.804 -0.571 1.00 24.41 O HETATM 0 HN4 B6D A 117 14.453 39.364 -0.006 1.00 33.33 H new HETATM 0 HN2 B6D A 117 12.937 35.129 -2.376 1.00 42.33 H new HETATM 0 H9B B6D A 117 15.780 41.204 1.294 1.00 64.43 H new HETATM 0 H9A B6D A 117 14.093 41.695 1.007 1.00 64.43 H new HETATM 0 H9 B6D A 117 14.783 41.798 2.644 1.00 64.43 H new HETATM 0 H8B B6D A 117 10.811 34.659 -3.750 1.00 62.32 H new HETATM 0 H8A B6D A 117 11.501 33.094 -3.260 1.00 62.32 H new HETATM 0 H8 B6D A 117 9.782 33.442 -2.959 1.00 62.32 H new HETATM 0 H6B B6D A 117 16.032 38.050 2.768 1.00 71.05 H new HETATM 0 H6A B6D A 117 15.022 36.753 3.448 1.00 71.05 H new HETATM 0 H6 B6D A 117 16.656 36.386 2.848 1.00 71.05 H new HETATM 0 H5 B6D A 117 15.930 37.004 0.552 1.00 65.01 H new HETATM 0 H4 B6D A 117 13.193 37.367 1.762 1.00 2.15 H new HETATM 0 H3 B6D A 117 13.990 37.234 -1.178 1.00 30.42 H new HETATM 0 H2 B6D A 117 12.271 35.389 0.530 1.00 24.01 H new HETATM 1821 C1 A2G A 118 12.073 38.778 -1.691 1.00 14.42 C HETATM 1822 C2 A2G A 118 11.085 39.917 -1.393 1.00 71.23 C HETATM 1823 C3 A2G A 118 9.678 39.308 -1.240 1.00 32.54 C HETATM 1824 C4 A2G A 118 9.234 38.590 -2.588 1.00 0.03 C HETATM 1825 C5 A2G A 118 10.295 37.598 -3.017 1.00 34.25 C HETATM 1826 C6 A2G A 118 10.062 36.865 -4.344 1.00 60.11 C HETATM 1827 C7 A2G A 118 11.054 41.961 0.047 1.00 35.41 C HETATM 1828 C8 A2G A 118 11.526 42.569 1.381 1.00 61.42 C HETATM 1829 O A2G A 118 11.672 38.166 -2.980 1.00 14.12 O HETATM 1830 O3 A2G A 118 8.731 40.300 -0.833 1.00 73.21 O HETATM 1831 O4 A2G A 118 9.111 39.616 -3.639 1.00 14.22 O HETATM 1832 O6 A2G A 118 11.307 36.466 -4.928 1.00 72.52 O HETATM 1833 O7 A2G A 118 10.305 42.581 -0.690 1.00 3.02 O HETATM 1834 N2 A2G A 118 11.513 40.694 -0.223 1.00 31.25 N HETATM 0 HO3 A2G A 118 7.845 39.890 -0.744 1.00 73.21 H new HETATM 0 HN2 A2G A 118 12.183 40.273 0.420 1.00 31.25 H new HETATM 0 H8B A2G A 118 11.192 41.940 2.206 1.00 61.42 H new HETATM 0 H8A A2G A 118 12.614 42.629 1.388 1.00 61.42 H new HETATM 0 H8 A2G A 118 11.106 43.569 1.494 1.00 61.42 H new HETATM 0 H6 A2G A 118 9.523 37.514 -5.034 1.00 60.11 H new HETATM 0 H5 A2G A 118 10.196 36.830 -2.250 1.00 34.25 H new HETATM 0 H4 A2G A 118 8.289 38.070 -2.431 1.00 0.03 H new HETATM 0 H3 A2G A 118 9.711 38.553 -0.455 1.00 32.54 H new HETATM 0 H2 A2G A 118 11.060 40.630 -2.217 1.00 71.23 H new HETATM 0 H15 A2G A 118 12.046 36.884 -4.439 1.00 72.52 H new HETATM 0 H14 A2G A 118 9.436 35.989 -4.176 1.00 60.11 H new HETATM 1848 C1 A2G A 119 7.954 39.452 -4.557 1.00 41.21 C HETATM 1849 C2 A2G A 119 8.287 40.096 -5.911 1.00 55.42 C HETATM 1850 C3 A2G A 119 8.582 41.590 -5.676 1.00 3.14 C HETATM 1851 C4 A2G A 119 7.306 42.318 -5.067 1.00 54.32 C HETATM 1852 C5 A2G A 119 6.830 41.579 -3.835 1.00 73.52 C HETATM 1853 C6 A2G A 119 5.556 42.106 -3.159 1.00 24.53 C HETATM 1854 C7 A2G A 119 9.424 39.162 -7.933 1.00 41.53 C HETATM 1855 C8 A2G A 119 10.636 38.358 -8.440 1.00 40.43 C HETATM 1856 O A2G A 119 6.729 40.107 -4.042 1.00 34.34 O HETATM 1857 O3 A2G A 119 9.027 42.222 -6.880 1.00 52.23 O HETATM 1858 O4 A2G A 119 6.227 42.279 -6.073 1.00 22.53 O HETATM 1859 O6 A2G A 119 5.481 41.659 -1.801 1.00 62.23 O HETATM 1860 O7 A2G A 119 8.582 39.579 -8.712 1.00 20.44 O HETATM 1861 N2 A2G A 119 9.386 39.385 -6.578 1.00 32.02 N HETATM 0 HO3 A2G A 119 9.206 43.170 -6.705 1.00 52.23 H new HETATM 0 HN2 A2G A 119 10.158 39.040 -6.008 1.00 32.02 H new HETATM 0 H8B A2G A 119 11.555 38.889 -8.191 1.00 40.43 H new HETATM 0 H8A A2G A 119 10.645 37.376 -7.967 1.00 40.43 H new HETATM 0 H8 A2G A 119 10.567 38.239 -9.521 1.00 40.43 H new HETATM 0 H6 A2G A 119 4.679 41.764 -3.708 1.00 24.53 H new HETATM 0 H5 A2G A 119 7.632 41.794 -3.129 1.00 73.52 H new HETATM 0 H4 A2G A 119 7.563 43.344 -4.803 1.00 54.32 H new HETATM 0 H3 A2G A 119 9.392 41.673 -4.951 1.00 3.14 H new HETATM 0 H2 A2G A 119 7.439 40.018 -6.592 1.00 55.42 H new HETATM 0 H15 A2G A 119 4.663 42.006 -1.387 1.00 62.23 H new HETATM 0 H14 A2G A 119 5.546 43.196 -3.189 1.00 24.53 H new HETATM 1875 C1 A2G A 120 5.528 43.568 -6.308 1.00 11.12 C HETATM 1876 C2 A2G A 120 4.095 43.288 -6.784 1.00 74.52 C HETATM 1877 C3 A2G A 120 4.172 42.468 -8.087 1.00 14.10 C HETATM 1878 C4 A2G A 120 4.929 43.294 -9.217 1.00 4.11 C HETATM 1879 C5 A2G A 120 6.273 43.760 -8.699 1.00 44.40 C HETATM 1880 C6 A2G A 120 7.112 44.638 -9.638 1.00 50.11 C HETATM 1881 C7 A2G A 120 2.878 43.281 -4.599 1.00 52.44 C HETATM 1882 C8 A2G A 120 2.041 42.433 -3.624 1.00 75.23 C HETATM 1883 O A2G A 120 6.192 44.388 -7.350 1.00 72.34 O HETATM 1884 O3 A2G A 120 2.868 42.062 -8.515 1.00 72.23 O HETATM 1885 O4 A2G A 120 4.122 44.484 -9.541 1.00 33.24 O HETATM 1886 O6 A2G A 120 8.507 44.367 -9.474 1.00 44.21 O HETATM 1887 O7 A2G A 120 3.109 44.456 -4.365 1.00 1.33 O HETATM 1888 N2 A2G A 120 3.308 42.631 -5.732 1.00 60.20 N HETATM 0 HN2 A2G A 120 3.069 41.646 -5.847 1.00 60.20 H new HETATM 0 H8B A2G A 120 1.145 42.075 -4.131 1.00 75.23 H new HETATM 0 H8A A2G A 120 2.631 41.582 -3.284 1.00 75.23 H new HETATM 0 H8 A2G A 120 1.754 43.042 -2.766 1.00 75.23 H new HETATM 0 H6 A2G A 120 6.915 45.690 -9.433 1.00 50.11 H new HETATM 0 H5 A2G A 120 6.817 42.818 -8.632 1.00 44.40 H new HETATM 0 H4 A2G A 120 5.072 42.665 -10.096 1.00 4.11 H new HETATM 0 H3 A2G A 120 4.745 41.561 -7.893 1.00 14.10 H new HETATM 0 H2 A2G A 120 3.572 44.220 -6.996 1.00 74.52 H new HETATM 0 H15 A2G A 120 9.024 44.935 -10.082 1.00 44.21 H new HETATM 0 H14 A2G A 120 6.820 44.455 -10.672 1.00 50.11 H new HETATM 1901 C1 A2G A 121 3.843 44.690 -10.985 1.00 74.03 C HETATM 1902 C2 A2G A 121 3.882 46.194 -11.300 1.00 24.24 C HETATM 1903 C3 A2G A 121 2.816 46.895 -10.437 1.00 35.42 C HETATM 1904 C4 A2G A 121 1.366 46.342 -10.789 1.00 5.11 C HETATM 1905 C5 A2G A 121 1.353 44.832 -10.684 1.00 23.52 C HETATM 1906 C6 A2G A 121 0.046 44.122 -11.063 1.00 73.11 C HETATM 1907 C7 A2G A 121 6.060 47.084 -12.149 1.00 72.04 C HETATM 1908 C8 A2G A 121 7.480 47.528 -11.753 1.00 35.55 C HETATM 1909 O A2G A 121 2.504 44.189 -11.378 1.00 2.34 O HETATM 1910 O3 A2G A 121 2.888 48.317 -10.586 1.00 1.00 O HETATM 1911 O4 A2G A 121 1.057 46.709 -12.183 1.00 13.10 O HETATM 1912 O6 A2G A 121 0.301 42.772 -11.466 1.00 74.22 O HETATM 1913 O7 A2G A 121 5.714 47.071 -13.320 1.00 30.25 O HETATM 1914 N2 A2G A 121 5.234 46.738 -11.107 1.00 24.51 N HETATM 0 HO3 A2G A 121 2.200 48.739 -10.030 1.00 1.00 H new HETATM 0 HN2 A2G A 121 5.575 46.865 -10.154 1.00 24.51 H new HETATM 0 H8B A2G A 121 7.420 48.403 -11.106 1.00 35.55 H new HETATM 0 H8A A2G A 121 7.980 46.718 -11.222 1.00 35.55 H new HETATM 0 H8 A2G A 121 8.047 47.778 -12.650 1.00 35.55 H new HETATM 0 H6 A2G A 121 -0.445 44.662 -11.873 1.00 73.11 H new HETATM 0 H5 A2G A 121 1.450 44.690 -9.608 1.00 23.52 H new HETATM 0 H4 A2G A 121 0.636 46.765 -10.099 1.00 5.11 H new HETATM 0 H3 A2G A 121 3.016 46.669 -9.389 1.00 35.42 H new HETATM 0 H2 A2G A 121 3.645 46.373 -12.349 1.00 24.24 H new HETATM 0 H15 A2G A 121 1.264 42.596 -11.429 1.00 74.22 H new HETATM 0 H14 A2G A 121 -0.637 44.130 -10.214 1.00 73.11 H new HETATM 1928 C1 A2G A 122 -0.295 47.285 -12.404 1.00 44.32 C HETATM 1929 C2 A2G A 122 -0.727 47.016 -13.854 1.00 54.32 C HETATM 1930 C3 A2G A 122 0.301 47.674 -14.795 1.00 23.53 C HETATM 1931 C4 A2G A 122 0.341 49.246 -14.560 1.00 42.55 C HETATM 1932 C5 A2G A 122 0.567 49.542 -13.092 1.00 52.12 C HETATM 1933 C6 A2G A 122 0.559 51.019 -12.673 1.00 43.14 C HETATM 1934 C7 A2G A 122 -2.111 44.939 -13.997 1.00 70.45 C HETATM 1935 C8 A2G A 122 -2.074 43.410 -14.186 1.00 34.43 C HETATM 1936 O A2G A 122 -0.323 48.752 -12.196 1.00 73.21 O HETATM 1937 O3 A2G A 122 0.027 47.350 -16.162 1.00 32.40 O HETATM 1938 O4 A2G A 122 -0.967 49.805 -14.947 1.00 31.10 O HETATM 1939 O6 A2G A 122 -0.697 51.372 -12.086 1.00 52.53 O HETATM 1940 O7 A2G A 122 -3.167 45.516 -13.798 1.00 13.45 O HETATM 1941 N2 A2G A 122 -0.899 45.577 -14.096 1.00 1.32 N HETATM 0 HO4 A2G A 122 -1.575 49.775 -14.179 1.00 31.10 H new HETATM 0 HO3 A2G A 122 0.691 47.780 -16.740 1.00 32.40 H new HETATM 0 HN2 A2G A 122 -0.079 45.026 -14.350 1.00 1.32 H new HETATM 0 H8B A2G A 122 -1.684 43.175 -15.176 1.00 34.43 H new HETATM 0 H8A A2G A 122 -1.430 42.965 -13.427 1.00 34.43 H new HETATM 0 H8 A2G A 122 -3.082 43.007 -14.088 1.00 34.43 H new HETATM 0 H6 A2G A 122 0.750 51.649 -13.541 1.00 43.14 H new HETATM 0 H5 A2G A 122 1.599 49.218 -12.962 1.00 52.12 H new HETATM 0 H4 A2G A 122 1.147 49.683 -15.150 1.00 42.55 H new HETATM 0 H3 A2G A 122 1.289 47.276 -14.562 1.00 23.53 H new HETATM 0 H2 A2G A 122 -1.703 47.459 -14.052 1.00 54.32 H new HETATM 0 H15 A2G A 122 -1.209 50.558 -11.895 1.00 52.53 H new HETATM 0 H14 A2G A 122 1.363 51.204 -11.961 1.00 43.14 H new HETATM 1955 C2 BGC A 123 1.347 40.443 -9.545 1.00 63.44 C HETATM 1956 C3 BGC A 123 1.075 39.500 -10.736 1.00 24.40 C HETATM 1957 C4 BGC A 123 1.715 39.995 -12.047 1.00 74.44 C HETATM 1958 C5 BGC A 123 3.202 40.334 -11.843 1.00 42.04 C HETATM 1959 C6 BGC A 123 3.924 40.879 -13.084 1.00 34.11 C HETATM 1960 C1 BGC A 123 2.804 40.944 -9.469 1.00 44.32 C HETATM 1961 O2 BGC A 123 1.072 39.721 -8.332 1.00 34.20 O HETATM 1962 O3 BGC A 123 -0.350 39.434 -10.929 1.00 31.23 O HETATM 1963 O4 BGC A 123 1.624 38.940 -13.021 1.00 24.24 O HETATM 1964 O5 BGC A 123 3.260 41.382 -10.804 1.00 52.11 O HETATM 1965 O6 BGC A 123 4.815 39.869 -13.577 1.00 3.00 O HETATM 0 H6C2 BGC A 123 3.201 41.153 -13.852 1.00 34.11 H new HETATM 0 H6C1 BGC A 123 4.479 41.783 -12.832 1.00 34.11 H new HETATM 0 HD BGC A 123 1.877 39.286 -13.902 1.00 24.24 H new HETATM 0 HC BGC A 123 -0.551 38.841 -11.683 1.00 31.23 H new HETATM 0 HB BGC A 123 1.240 40.302 -7.561 1.00 34.20 H new HETATM 0 H6 BGC A 123 5.282 40.204 -14.371 1.00 3.00 H new HETATM 0 H5 BGC A 123 3.706 39.403 -11.582 1.00 42.04 H new HETATM 0 H4 BGC A 123 1.191 40.892 -12.377 1.00 74.44 H new HETATM 0 H3 BGC A 123 1.511 38.529 -10.502 1.00 24.40 H new HETATM 0 H2 BGC A 123 0.708 41.316 -9.679 1.00 63.44 H new