USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN :FLIP amide:sc= 0.569 F(o=-1.7!,f=1.4) USER MOD Set 1.2: A 75 SER OG : rot -103:sc= 0.81 USER MOD Set 2.1: A 53 THR OG1 : rot -24:sc= 0.668 USER MOD Set 2.2: A 91 TYR OH : rot -48:sc= 1.6 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.152 (180deg=-0.635) USER MOD Single : A 1 MET N :NH3+ 175:sc=-0.00728 (180deg=-0.0538) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.18) USER MOD Single : A 5 HIS : no HE2:sc= -0.0738 K(o=-0.074,f=-1.9) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc=-0.00211 USER MOD Single : A 22 MET CE :methyl 137:sc= -0.0972 (180deg=-0.503) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 26 MET CE :methyl 163:sc= -0.0945 (180deg=-0.499) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0052 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 120:sc= -0.2 USER MOD Single : A 37 CYS SG : rot 30:sc= 0.899 USER MOD Single : A 38 TYR OH : rot 120:sc= -1.74! USER MOD Single : A 41 THR OG1 : rot -175:sc= -0.876 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0301 (180deg=-0.24) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0668 (180deg=-0.41) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -3.24! USER MOD Single : A 68 ASN : amide:sc= -0.698! C(o=-0.7!,f=-4.9!) USER MOD Single : A 73 SER OG : rot 170:sc= -0.543 USER MOD Single : A 79 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.9!) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.142 (180deg=-0.64) USER MOD Single : A 84 GLN : amide:sc= -2.29! C(o=-2.3!,f=-5.2!) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= -0.0159 (180deg=-0.153) USER MOD Single : A 93 HIS :FLIP no HE2:sc= 0.141 F(o=-0.92,f=0.14) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -0.0911 (180deg=-0.451) USER MOD Single : A 96 SER OG : rot -51:sc= 0.292 USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= -0.0259 (180deg=-0.139) USER MOD Single : A 99 SER OG : rot -129:sc=0.000998 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -170:sc= -0.0208 (180deg=-0.154) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 111.534-112.931 12.743 1.00 52.12 N ATOM 2 CA MET A 1 111.220-113.812 13.893 1.00 51.22 C ATOM 3 C MET A 1 110.701-112.986 15.069 1.00 31.51 C ATOM 4 O MET A 1 111.359-112.047 15.523 1.00 43.23 O ATOM 5 CB MET A 1 112.461-114.626 14.310 1.00 33.04 C ATOM 6 CG MET A 1 113.654-113.780 14.750 1.00 72.33 C ATOM 7 SD MET A 1 115.085-114.777 15.216 1.00 4.50 S ATOM 8 CE MET A 1 114.425-115.724 16.587 1.00 20.10 C ATOM 0 H1 MET A 1 111.965-113.494 11.982 1.00 52.12 H new ATOM 0 H2 MET A 1 110.659-112.490 12.395 1.00 52.12 H new ATOM 0 H3 MET A 1 112.199-112.190 13.044 1.00 52.12 H new ATOM 0 HA MET A 1 110.441-114.511 13.589 1.00 51.22 H new ATOM 0 HB2 MET A 1 112.185-115.294 15.126 1.00 33.04 H new ATOM 0 HB3 MET A 1 112.766-115.254 13.473 1.00 33.04 H new ATOM 0 HG2 MET A 1 113.934-113.107 13.940 1.00 72.33 H new ATOM 0 HG3 MET A 1 113.360-113.157 15.595 1.00 72.33 H new ATOM 0 HE1 MET A 1 115.246-116.121 17.184 1.00 20.10 H new ATOM 0 HE2 MET A 1 113.803-115.080 17.208 1.00 20.10 H new ATOM 0 HE3 MET A 1 113.824-116.548 16.204 1.00 20.10 H new ATOM 20 N ALA A 2 109.516-113.337 15.557 1.00 23.30 N ATOM 21 CA ALA A 2 108.882-112.609 16.648 1.00 11.25 C ATOM 22 C ALA A 2 109.519-112.969 17.986 1.00 62.11 C ATOM 23 O ALA A 2 109.651-114.147 18.327 1.00 12.45 O ATOM 24 CB ALA A 2 107.387-112.902 16.676 1.00 63.04 C ATOM 0 H ALA A 2 108.972-114.127 15.210 1.00 23.30 H new ATOM 0 HA ALA A 2 109.029-111.542 16.479 1.00 11.25 H new ATOM 0 HB1 ALA A 2 106.924-112.352 17.495 1.00 63.04 H new ATOM 0 HB2 ALA A 2 106.938-112.593 15.732 1.00 63.04 H new ATOM 0 HB3 ALA A 2 107.228-113.971 16.820 1.00 63.04 H new ATOM 30 N HIS A 3 109.920-111.948 18.735 1.00 20.45 N ATOM 31 CA HIS A 3 110.477-112.141 20.068 1.00 41.31 C ATOM 32 C HIS A 3 109.333-112.330 21.067 1.00 14.54 C ATOM 33 O HIS A 3 108.666-111.364 21.449 1.00 61.24 O ATOM 34 CB HIS A 3 111.360-110.946 20.460 1.00 23.32 C ATOM 35 CG HIS A 3 112.528-110.736 19.535 1.00 30.41 C ATOM 36 ND1 HIS A 3 112.689-109.603 18.763 1.00 73.03 N ATOM 37 CD2 HIS A 3 113.599-111.521 19.266 1.00 73.32 C ATOM 38 CE1 HIS A 3 113.805-109.703 18.064 1.00 11.32 C ATOM 39 NE2 HIS A 3 114.376-110.856 18.350 1.00 30.43 N ATOM 0 H HIS A 3 109.869-110.973 18.439 1.00 20.45 H new ATOM 0 HA HIS A 3 111.105-113.032 20.076 1.00 41.31 H new ATOM 0 HB2 HIS A 3 110.750-110.043 20.474 1.00 23.32 H new ATOM 0 HB3 HIS A 3 111.731-111.096 21.474 1.00 23.32 H new ATOM 0 HD2 HIS A 3 113.804-112.491 19.694 1.00 73.32 H new ATOM 0 HE1 HIS A 3 114.186-108.964 17.374 1.00 11.32 H new ATOM 0 HE2 HIS A 3 115.252-111.198 17.955 1.00 30.43 H new ATOM 48 N HIS A 4 109.094-113.585 21.452 1.00 51.22 N ATOM 49 CA HIS A 4 107.956-113.945 22.306 1.00 51.34 C ATOM 50 C HIS A 4 107.960-113.178 23.629 1.00 0.14 C ATOM 51 O HIS A 4 109.016-112.905 24.207 1.00 74.33 O ATOM 52 CB HIS A 4 107.939-115.459 22.577 1.00 24.43 C ATOM 53 CG HIS A 4 109.190-115.979 23.222 1.00 72.12 C ATOM 54 ND1 HIS A 4 110.243-116.492 22.500 1.00 51.04 N ATOM 55 CD2 HIS A 4 109.558-116.066 24.525 1.00 71.54 C ATOM 56 CE1 HIS A 4 111.199-116.867 23.326 1.00 1.32 C ATOM 57 NE2 HIS A 4 110.809-116.621 24.556 1.00 72.33 N ATOM 0 H HIS A 4 109.678-114.377 21.184 1.00 51.22 H new ATOM 0 HA HIS A 4 107.052-113.665 21.765 1.00 51.34 H new ATOM 0 HB2 HIS A 4 107.088-115.693 23.217 1.00 24.43 H new ATOM 0 HB3 HIS A 4 107.783-115.984 21.635 1.00 24.43 H new ATOM 0 HD2 HIS A 4 108.973-115.755 25.378 1.00 71.54 H new ATOM 0 HE1 HIS A 4 112.145-117.303 23.040 1.00 1.32 H new ATOM 0 HE2 HIS A 4 111.351-116.813 25.399 1.00 72.33 H new ATOM 66 N HIS A 5 106.761-112.848 24.097 1.00 1.20 N ATOM 67 CA HIS A 5 106.566-112.128 25.351 1.00 3.11 C ATOM 68 C HIS A 5 105.124-112.310 25.811 1.00 72.12 C ATOM 69 O HIS A 5 104.335-112.957 25.121 1.00 25.44 O ATOM 70 CB HIS A 5 106.887-110.635 25.179 1.00 71.20 C ATOM 71 CG HIS A 5 105.972-109.931 24.223 1.00 35.25 C ATOM 72 ND1 HIS A 5 104.803-109.310 24.612 1.00 61.31 N ATOM 73 CD2 HIS A 5 106.060-109.752 22.886 1.00 64.31 C ATOM 74 CE1 HIS A 5 104.215-108.784 23.555 1.00 14.53 C ATOM 75 NE2 HIS A 5 104.957-109.036 22.494 1.00 10.22 N ATOM 0 H HIS A 5 105.891-113.074 23.614 1.00 1.20 H new ATOM 0 HA HIS A 5 107.244-112.531 26.103 1.00 3.11 H new ATOM 0 HB2 HIS A 5 106.830-110.145 26.151 1.00 71.20 H new ATOM 0 HB3 HIS A 5 107.914-110.531 24.829 1.00 71.20 H new ATOM 0 HD1 HIS A 5 104.449-109.265 25.567 1.00 61.31 H new ATOM 0 HD2 HIS A 5 106.853-110.107 22.244 1.00 64.31 H new ATOM 0 HE1 HIS A 5 103.283-108.239 23.558 1.00 14.53 H new ATOM 84 N HIS A 6 104.782-111.729 26.957 1.00 74.41 N ATOM 85 CA HIS A 6 103.441-111.869 27.522 1.00 62.44 C ATOM 86 C HIS A 6 102.393-111.223 26.624 1.00 42.35 C ATOM 87 O HIS A 6 102.636-110.177 26.017 1.00 32.12 O ATOM 88 CB HIS A 6 103.369-111.263 28.933 1.00 4.33 C ATOM 89 CG HIS A 6 103.722-112.232 30.020 1.00 54.12 C ATOM 90 ND1 HIS A 6 102.910-112.468 31.109 1.00 25.22 N ATOM 91 CD2 HIS A 6 104.796-113.039 30.175 1.00 51.05 C ATOM 92 CE1 HIS A 6 103.468-113.378 31.881 1.00 34.00 C ATOM 93 NE2 HIS A 6 104.613-113.743 31.339 1.00 2.42 N ATOM 0 H HIS A 6 105.415-111.156 27.515 1.00 74.41 H new ATOM 0 HA HIS A 6 103.228-112.936 27.590 1.00 62.44 H new ATOM 0 HB2 HIS A 6 104.043-110.408 28.987 1.00 4.33 H new ATOM 0 HB3 HIS A 6 102.361-110.886 29.107 1.00 4.33 H new ATOM 0 HD2 HIS A 6 105.641-113.115 29.507 1.00 51.05 H new ATOM 0 HE1 HIS A 6 103.056-113.761 32.803 1.00 34.00 H new ATOM 0 HE2 HIS A 6 105.257-114.435 31.722 1.00 2.42 H new ATOM 102 N HIS A 7 101.230-111.854 26.556 1.00 3.41 N ATOM 103 CA HIS A 7 100.119-111.363 25.749 1.00 22.42 C ATOM 104 C HIS A 7 98.796-111.648 26.457 1.00 74.24 C ATOM 105 O HIS A 7 98.322-112.785 26.473 1.00 22.25 O ATOM 106 CB HIS A 7 100.142-112.011 24.356 1.00 14.31 C ATOM 107 CG HIS A 7 98.924-111.718 23.524 1.00 52.42 C ATOM 108 ND1 HIS A 7 98.690-110.499 22.925 1.00 2.02 N ATOM 109 CD2 HIS A 7 97.871-112.501 23.194 1.00 55.24 C ATOM 110 CE1 HIS A 7 97.550-110.549 22.262 1.00 30.14 C ATOM 111 NE2 HIS A 7 97.031-111.753 22.408 1.00 45.03 N ATOM 0 H HIS A 7 101.028-112.719 27.057 1.00 3.41 H new ATOM 0 HA HIS A 7 100.221-110.285 25.623 1.00 22.42 H new ATOM 0 HB2 HIS A 7 101.026-111.666 23.821 1.00 14.31 H new ATOM 0 HB3 HIS A 7 100.240-113.091 24.470 1.00 14.31 H new ATOM 0 HD2 HIS A 7 97.719-113.527 23.494 1.00 55.24 H new ATOM 0 HE1 HIS A 7 97.115-109.740 21.695 1.00 30.14 H new ATOM 0 HE2 HIS A 7 96.151-112.074 22.004 1.00 45.03 H new ATOM 120 N HIS A 8 98.213-110.611 27.048 1.00 1.42 N ATOM 121 CA HIS A 8 96.971-110.744 27.805 1.00 40.41 C ATOM 122 C HIS A 8 95.993-109.638 27.404 1.00 31.21 C ATOM 123 O HIS A 8 96.366-108.464 27.332 1.00 1.54 O ATOM 124 CB HIS A 8 97.264-110.685 29.314 1.00 5.14 C ATOM 125 CG HIS A 8 96.077-111.006 30.178 1.00 51.02 C ATOM 126 ND1 HIS A 8 95.376-110.050 30.876 1.00 43.10 N ATOM 127 CD2 HIS A 8 95.479-112.189 30.464 1.00 71.51 C ATOM 128 CE1 HIS A 8 94.401-110.626 31.554 1.00 10.51 C ATOM 129 NE2 HIS A 8 94.441-111.924 31.322 1.00 62.52 N ATOM 0 H HIS A 8 98.583-109.661 27.017 1.00 1.42 H new ATOM 0 HA HIS A 8 96.517-111.708 27.578 1.00 40.41 H new ATOM 0 HB2 HIS A 8 98.069-111.383 29.545 1.00 5.14 H new ATOM 0 HB3 HIS A 8 97.625-109.688 29.565 1.00 5.14 H new ATOM 0 HD2 HIS A 8 95.766-113.159 30.087 1.00 71.51 H new ATOM 0 HE1 HIS A 8 93.691-110.120 32.191 1.00 10.51 H new ATOM 0 HE2 HIS A 8 93.805-112.617 31.716 1.00 62.52 H new ATOM 138 N MET A 9 94.746-110.020 27.140 1.00 32.43 N ATOM 139 CA MET A 9 93.721-109.078 26.697 1.00 63.23 C ATOM 140 C MET A 9 92.356-109.453 27.269 1.00 31.31 C ATOM 141 O MET A 9 92.156-110.577 27.738 1.00 61.42 O ATOM 142 CB MET A 9 93.645-109.054 25.161 1.00 35.41 C ATOM 143 CG MET A 9 93.235-110.389 24.541 1.00 51.11 C ATOM 144 SD MET A 9 93.104-110.318 22.743 1.00 3.44 S ATOM 145 CE MET A 9 92.587-111.996 22.377 1.00 24.31 C ATOM 0 H MET A 9 94.419-110.982 27.226 1.00 32.43 H new ATOM 0 HA MET A 9 93.995-108.087 27.060 1.00 63.23 H new ATOM 0 HB2 MET A 9 92.933-108.288 24.854 1.00 35.41 H new ATOM 0 HB3 MET A 9 94.617-108.763 24.763 1.00 35.41 H new ATOM 0 HG2 MET A 9 93.964-111.151 24.817 1.00 51.11 H new ATOM 0 HG3 MET A 9 92.277-110.698 24.958 1.00 51.11 H new ATOM 0 HE1 MET A 9 92.463-112.112 21.300 1.00 24.31 H new ATOM 0 HE2 MET A 9 93.344-112.696 22.732 1.00 24.31 H new ATOM 0 HE3 MET A 9 91.640-112.202 22.876 1.00 24.31 H new ATOM 155 N GLY A 10 91.425-108.507 27.218 1.00 41.12 N ATOM 156 CA GLY A 10 90.070-108.751 27.678 1.00 0.44 C ATOM 157 C GLY A 10 89.077-108.671 26.537 1.00 11.55 C ATOM 158 O GLY A 10 89.124-107.731 25.738 1.00 74.43 O ATOM 0 H GLY A 10 91.587-107.565 26.862 1.00 41.12 H new ATOM 0 HA2 GLY A 10 90.014-109.735 28.143 1.00 0.44 H new ATOM 0 HA3 GLY A 10 89.807-108.021 28.443 1.00 0.44 H new ATOM 162 N THR A 11 88.190-109.651 26.447 1.00 73.24 N ATOM 163 CA THR A 11 87.205-109.702 25.373 1.00 53.21 C ATOM 164 C THR A 11 85.897-109.043 25.821 1.00 62.12 C ATOM 165 O THR A 11 85.664-108.851 27.021 1.00 32.23 O ATOM 166 CB THR A 11 86.945-111.166 24.943 1.00 24.22 C ATOM 167 OG1 THR A 11 88.198-111.824 24.692 1.00 5.43 O ATOM 168 CG2 THR A 11 86.082-111.242 23.688 1.00 21.21 C ATOM 0 H THR A 11 88.131-110.426 27.108 1.00 73.24 H new ATOM 0 HA THR A 11 87.600-109.154 24.517 1.00 53.21 H new ATOM 0 HB THR A 11 86.411-111.660 25.755 1.00 24.22 H new ATOM 0 HG1 THR A 11 88.032-112.751 24.422 1.00 5.43 H new ATOM 0 HG21 THR A 11 85.922-112.286 23.419 1.00 21.21 H new ATOM 0 HG22 THR A 11 85.120-110.765 23.878 1.00 21.21 H new ATOM 0 HG23 THR A 11 86.585-110.729 22.869 1.00 21.21 H new ATOM 176 N LEU A 12 85.054-108.681 24.858 1.00 73.43 N ATOM 177 CA LEU A 12 83.766-108.053 25.140 1.00 60.44 C ATOM 178 C LEU A 12 82.750-108.481 24.079 1.00 2.34 C ATOM 179 O LEU A 12 83.042-108.445 22.881 1.00 43.41 O ATOM 180 CB LEU A 12 83.931-106.518 25.175 1.00 50.00 C ATOM 181 CG LEU A 12 82.741-105.707 25.743 1.00 32.44 C ATOM 182 CD1 LEU A 12 83.196-104.310 26.157 1.00 40.14 C ATOM 183 CD2 LEU A 12 81.592-105.602 24.736 1.00 54.24 C ATOM 0 H LEU A 12 85.243-108.814 23.864 1.00 73.43 H new ATOM 0 HA LEU A 12 83.399-108.374 26.115 1.00 60.44 H new ATOM 0 HB2 LEU A 12 84.816-106.284 25.766 1.00 50.00 H new ATOM 0 HB3 LEU A 12 84.125-106.173 24.160 1.00 50.00 H new ATOM 0 HG LEU A 12 82.373-106.242 26.619 1.00 32.44 H new ATOM 0 HD11 LEU A 12 82.347-103.754 26.554 1.00 40.14 H new ATOM 0 HD12 LEU A 12 83.967-104.391 26.923 1.00 40.14 H new ATOM 0 HD13 LEU A 12 83.599-103.787 25.290 1.00 40.14 H new ATOM 0 HD21 LEU A 12 80.777-105.026 25.173 1.00 54.24 H new ATOM 0 HD22 LEU A 12 81.944-105.105 23.832 1.00 54.24 H new ATOM 0 HD23 LEU A 12 81.236-106.601 24.485 1.00 54.24 H new ATOM 195 N GLU A 13 81.563-108.895 24.522 1.00 52.03 N ATOM 196 CA GLU A 13 80.504-109.335 23.617 1.00 22.25 C ATOM 197 C GLU A 13 79.180-108.659 23.965 1.00 62.32 C ATOM 198 O GLU A 13 78.842-108.496 25.141 1.00 2.42 O ATOM 199 CB GLU A 13 80.353-110.864 23.660 1.00 51.21 C ATOM 200 CG GLU A 13 80.045-111.429 25.041 1.00 55.21 C ATOM 201 CD GLU A 13 79.883-112.941 25.024 1.00 31.33 C ATOM 202 OE1 GLU A 13 78.756-113.422 24.786 1.00 54.41 O ATOM 203 OE2 GLU A 13 80.884-113.657 25.242 1.00 45.33 O ATOM 0 H GLU A 13 81.311-108.934 25.510 1.00 52.03 H new ATOM 0 HA GLU A 13 80.782-109.045 22.604 1.00 22.25 H new ATOM 0 HB2 GLU A 13 79.557-111.157 22.975 1.00 51.21 H new ATOM 0 HB3 GLU A 13 81.273-111.318 23.292 1.00 51.21 H new ATOM 0 HG2 GLU A 13 80.847-111.160 25.728 1.00 55.21 H new ATOM 0 HG3 GLU A 13 79.132-110.972 25.422 1.00 55.21 H new ATOM 210 N ALA A 14 78.451-108.256 22.930 1.00 75.13 N ATOM 211 CA ALA A 14 77.148-107.623 23.084 1.00 74.41 C ATOM 212 C ALA A 14 76.330-107.823 21.812 1.00 5.34 C ATOM 213 O ALA A 14 76.679-107.300 20.752 1.00 31.41 O ATOM 214 CB ALA A 14 77.302-106.135 23.397 1.00 21.45 C ATOM 0 H ALA A 14 78.748-108.360 21.960 1.00 75.13 H new ATOM 0 HA ALA A 14 76.626-108.087 23.920 1.00 74.41 H new ATOM 0 HB1 ALA A 14 76.317-105.683 23.508 1.00 21.45 H new ATOM 0 HB2 ALA A 14 77.863-106.014 24.324 1.00 21.45 H new ATOM 0 HB3 ALA A 14 77.836-105.645 22.583 1.00 21.45 H new ATOM 220 N GLN A 15 75.259-108.600 21.915 1.00 73.23 N ATOM 221 CA GLN A 15 74.407-108.898 20.769 1.00 10.44 C ATOM 222 C GLN A 15 72.931-108.908 21.173 1.00 33.22 C ATOM 223 O GLN A 15 72.600-109.127 22.340 1.00 53.33 O ATOM 224 CB GLN A 15 74.827-110.237 20.133 1.00 53.15 C ATOM 225 CG GLN A 15 75.119-111.364 21.132 1.00 42.52 C ATOM 226 CD GLN A 15 73.877-111.947 21.788 1.00 12.50 C ATOM 227 OE1 GLN A 15 72.801-111.994 21.186 1.00 73.33 O ATOM 228 NE2 GLN A 15 74.020-112.417 23.019 1.00 64.32 N ATOM 0 H GLN A 15 74.958-109.038 22.786 1.00 73.23 H new ATOM 0 HA GLN A 15 74.533-108.112 20.024 1.00 10.44 H new ATOM 0 HB2 GLN A 15 74.037-110.565 19.458 1.00 53.15 H new ATOM 0 HB3 GLN A 15 75.716-110.071 19.525 1.00 53.15 H new ATOM 0 HG2 GLN A 15 75.654-112.162 20.617 1.00 42.52 H new ATOM 0 HG3 GLN A 15 75.783-110.984 21.908 1.00 42.52 H new ATOM 0 HE21 GLN A 15 74.926-112.360 23.484 1.00 64.32 H new ATOM 0 HE22 GLN A 15 73.224-112.835 23.501 1.00 64.32 H new ATOM 237 N THR A 16 72.058-108.645 20.204 1.00 2.53 N ATOM 238 CA THR A 16 70.617-108.618 20.433 1.00 64.02 C ATOM 239 C THR A 16 69.873-108.723 19.097 1.00 10.20 C ATOM 240 O THR A 16 70.499-108.891 18.046 1.00 24.02 O ATOM 241 CB THR A 16 70.194-107.324 21.180 1.00 64.03 C ATOM 242 OG1 THR A 16 68.790-107.357 21.482 1.00 72.31 O ATOM 243 CG2 THR A 16 70.509-106.077 20.358 1.00 44.12 C ATOM 0 H THR A 16 72.329-108.445 19.241 1.00 2.53 H new ATOM 0 HA THR A 16 70.355-109.471 21.059 1.00 64.02 H new ATOM 0 HB THR A 16 70.765-107.279 22.107 1.00 64.03 H new ATOM 0 HG1 THR A 16 68.538-106.536 21.954 1.00 72.31 H new ATOM 0 HG21 THR A 16 70.200-105.190 20.910 1.00 44.12 H new ATOM 0 HG22 THR A 16 71.581-106.030 20.165 1.00 44.12 H new ATOM 0 HG23 THR A 16 69.971-106.120 19.411 1.00 44.12 H new ATOM 251 N GLN A 17 68.545-108.631 19.139 1.00 71.03 N ATOM 252 CA GLN A 17 67.721-108.692 17.932 1.00 43.41 C ATOM 253 C GLN A 17 66.783-107.490 17.867 1.00 71.34 C ATOM 254 O GLN A 17 66.739-106.672 18.789 1.00 24.31 O ATOM 255 CB GLN A 17 66.904-109.992 17.906 1.00 10.42 C ATOM 256 CG GLN A 17 67.751-111.259 17.860 1.00 13.32 C ATOM 257 CD GLN A 17 66.910-112.518 17.751 1.00 52.11 C ATOM 258 OE1 GLN A 17 66.597-112.976 16.651 1.00 64.41 O ATOM 259 NE2 GLN A 17 66.522-113.078 18.887 1.00 14.45 N ATOM 0 H GLN A 17 68.013-108.513 20.002 1.00 71.03 H new ATOM 0 HA GLN A 17 68.381-108.673 17.065 1.00 43.41 H new ATOM 0 HB2 GLN A 17 66.267-110.026 18.790 1.00 10.42 H new ATOM 0 HB3 GLN A 17 66.245-109.977 17.038 1.00 10.42 H new ATOM 0 HG2 GLN A 17 68.432-111.206 17.010 1.00 13.32 H new ATOM 0 HG3 GLN A 17 68.366-111.314 18.758 1.00 13.32 H new ATOM 0 HE21 GLN A 17 66.802-112.669 19.779 1.00 14.45 H new ATOM 0 HE22 GLN A 17 65.944-113.918 18.870 1.00 14.45 H new ATOM 268 N GLY A 18 66.041-107.396 16.766 1.00 1.13 N ATOM 269 CA GLY A 18 65.045-106.349 16.597 1.00 52.34 C ATOM 270 C GLY A 18 63.679-106.930 16.269 1.00 34.32 C ATOM 271 O GLY A 18 63.581-108.117 15.945 1.00 71.43 O ATOM 0 H GLY A 18 66.114-108.037 15.976 1.00 1.13 H new ATOM 0 HA2 GLY A 18 64.980-105.756 17.509 1.00 52.34 H new ATOM 0 HA3 GLY A 18 65.356-105.674 15.799 1.00 52.34 H new ATOM 275 N PRO A 19 62.600-106.127 16.351 1.00 11.21 N ATOM 276 CA PRO A 19 61.241-106.590 16.090 1.00 44.43 C ATOM 277 C PRO A 19 60.823-106.382 14.631 1.00 61.53 C ATOM 278 O PRO A 19 61.668-106.322 13.734 1.00 33.10 O ATOM 279 CB PRO A 19 60.424-105.704 17.035 1.00 34.13 C ATOM 280 CG PRO A 19 61.164-104.401 17.070 1.00 11.35 C ATOM 281 CD PRO A 19 62.609-104.699 16.711 1.00 74.15 C ATOM 0 HA PRO A 19 61.111-107.660 16.252 1.00 44.43 H new ATOM 0 HB2 PRO A 19 59.405-105.571 16.671 1.00 34.13 H new ATOM 0 HB3 PRO A 19 60.353-106.146 18.029 1.00 34.13 H new ATOM 0 HG2 PRO A 19 60.730-103.692 16.365 1.00 11.35 H new ATOM 0 HG3 PRO A 19 61.098-103.947 18.059 1.00 11.35 H new ATOM 0 HD2 PRO A 19 62.950-104.080 15.881 1.00 74.15 H new ATOM 0 HD3 PRO A 19 63.277-104.503 17.550 1.00 74.15 H new ATOM 289 N GLY A 20 59.517-106.273 14.409 1.00 53.25 N ATOM 290 CA GLY A 20 58.977-106.096 13.071 1.00 63.03 C ATOM 291 C GLY A 20 57.648-105.363 13.097 1.00 10.53 C ATOM 292 O GLY A 20 57.241-104.843 14.141 1.00 74.25 O ATOM 0 H GLY A 20 58.812-106.305 15.145 1.00 53.25 H new ATOM 0 HA2 GLY A 20 59.689-105.539 12.462 1.00 63.03 H new ATOM 0 HA3 GLY A 20 58.847-107.070 12.599 1.00 63.03 H new ATOM 296 N SER A 21 56.971-105.307 11.955 1.00 73.15 N ATOM 297 CA SER A 21 55.690-104.608 11.848 1.00 14.22 C ATOM 298 C SER A 21 54.782-105.301 10.825 1.00 10.43 C ATOM 299 O SER A 21 55.178-106.289 10.200 1.00 10.21 O ATOM 300 CB SER A 21 55.925-103.139 11.456 1.00 12.32 C ATOM 301 OG SER A 21 56.769-102.486 12.397 1.00 22.03 O ATOM 0 H SER A 21 57.287-105.738 11.086 1.00 73.15 H new ATOM 0 HA SER A 21 55.192-104.637 12.817 1.00 14.22 H new ATOM 0 HB2 SER A 21 56.376-103.092 10.465 1.00 12.32 H new ATOM 0 HB3 SER A 21 54.969-102.618 11.397 1.00 12.32 H new ATOM 0 HG SER A 21 56.904-101.554 12.124 1.00 22.03 H new ATOM 307 N MET A 22 53.562-104.788 10.676 1.00 63.14 N ATOM 308 CA MET A 22 52.594-105.324 9.718 1.00 73.31 C ATOM 309 C MET A 22 51.721-104.193 9.177 1.00 20.42 C ATOM 310 O MET A 22 51.696-103.097 9.746 1.00 43.13 O ATOM 311 CB MET A 22 51.716-106.403 10.375 1.00 54.34 C ATOM 312 CG MET A 22 50.823-105.882 11.497 1.00 52.42 C ATOM 313 SD MET A 22 49.750-107.163 12.187 1.00 3.25 S ATOM 314 CE MET A 22 50.960-108.308 12.856 1.00 22.13 C ATOM 0 H MET A 22 53.217-103.992 11.213 1.00 63.14 H new ATOM 0 HA MET A 22 53.139-105.783 8.893 1.00 73.31 H new ATOM 0 HB2 MET A 22 51.090-106.862 9.610 1.00 54.34 H new ATOM 0 HB3 MET A 22 52.360-107.188 10.772 1.00 54.34 H new ATOM 0 HG2 MET A 22 51.447-105.470 12.290 1.00 52.42 H new ATOM 0 HG3 MET A 22 50.209-105.065 11.118 1.00 52.42 H new ATOM 0 HE1 MET A 22 50.636-108.646 13.840 1.00 22.13 H new ATOM 0 HE2 MET A 22 51.056-109.166 12.191 1.00 22.13 H new ATOM 0 HE3 MET A 22 51.924-107.808 12.944 1.00 22.13 H new ATOM 324 N GLN A 23 50.993-104.463 8.097 1.00 42.32 N ATOM 325 CA GLN A 23 50.172-103.445 7.441 1.00 71.32 C ATOM 326 C GLN A 23 48.741-103.951 7.252 1.00 74.11 C ATOM 327 O GLN A 23 48.496-105.162 7.279 1.00 61.22 O ATOM 328 CB GLN A 23 50.786-103.078 6.078 1.00 23.42 C ATOM 329 CG GLN A 23 50.114-101.891 5.393 1.00 73.31 C ATOM 330 CD GLN A 23 50.601-101.675 3.971 1.00 45.10 C ATOM 331 OE1 GLN A 23 51.576-100.961 3.732 1.00 2.12 O ATOM 332 NE2 GLN A 23 49.918-102.287 3.016 1.00 73.02 N ATOM 0 H GLN A 23 50.954-105.381 7.655 1.00 42.32 H new ATOM 0 HA GLN A 23 50.144-102.557 8.073 1.00 71.32 H new ATOM 0 HB2 GLN A 23 51.844-102.853 6.216 1.00 23.42 H new ATOM 0 HB3 GLN A 23 50.728-103.945 5.420 1.00 23.42 H new ATOM 0 HG2 GLN A 23 49.035-102.047 5.382 1.00 73.31 H new ATOM 0 HG3 GLN A 23 50.300-100.989 5.976 1.00 73.31 H new ATOM 0 HE21 GLN A 23 49.116-102.870 3.256 1.00 73.02 H new ATOM 0 HE22 GLN A 23 50.194-102.176 2.040 1.00 73.02 H new ATOM 341 N GLY A 24 47.802-103.024 7.066 1.00 4.42 N ATOM 342 CA GLY A 24 46.413-103.381 6.827 1.00 12.50 C ATOM 343 C GLY A 24 45.969-103.021 5.423 1.00 71.41 C ATOM 344 O GLY A 24 46.801-102.699 4.569 1.00 61.51 O ATOM 0 H GLY A 24 47.983-102.020 7.077 1.00 4.42 H new ATOM 0 HA2 GLY A 24 46.281-104.451 6.986 1.00 12.50 H new ATOM 0 HA3 GLY A 24 45.778-102.870 7.551 1.00 12.50 H new ATOM 348 N SER A 25 44.663-103.089 5.172 1.00 41.01 N ATOM 349 CA SER A 25 44.097-102.730 3.871 1.00 14.24 C ATOM 350 C SER A 25 42.651-102.257 4.032 1.00 14.43 C ATOM 351 O SER A 25 41.932-102.727 4.919 1.00 11.33 O ATOM 352 CB SER A 25 44.163-103.924 2.907 1.00 34.44 C ATOM 353 OG SER A 25 45.507-104.330 2.686 1.00 60.00 O ATOM 0 H SER A 25 43.971-103.392 5.858 1.00 41.01 H new ATOM 0 HA SER A 25 44.686-101.914 3.452 1.00 14.24 H new ATOM 0 HB2 SER A 25 43.591-104.757 3.315 1.00 34.44 H new ATOM 0 HB3 SER A 25 43.700-103.655 1.957 1.00 34.44 H new ATOM 0 HG SER A 25 45.521-105.092 2.070 1.00 60.00 H new ATOM 359 N MET A 26 42.233-101.329 3.172 1.00 62.34 N ATOM 360 CA MET A 26 40.899-100.734 3.250 1.00 2.51 C ATOM 361 C MET A 26 40.100-101.029 1.977 1.00 11.11 C ATOM 362 O MET A 26 40.590-100.802 0.865 1.00 5.31 O ATOM 363 CB MET A 26 41.013 -99.215 3.456 1.00 50.04 C ATOM 364 CG MET A 26 41.713 -98.816 4.748 1.00 55.43 C ATOM 365 SD MET A 26 41.937 -97.031 4.902 1.00 2.11 S ATOM 366 CE MET A 26 40.241 -96.458 4.869 1.00 34.05 C ATOM 0 H MET A 26 42.804-100.970 2.407 1.00 62.34 H new ATOM 0 HA MET A 26 40.374-101.173 4.098 1.00 2.51 H new ATOM 0 HB2 MET A 26 41.554 -98.784 2.614 1.00 50.04 H new ATOM 0 HB3 MET A 26 40.013 -98.782 3.448 1.00 50.04 H new ATOM 0 HG2 MET A 26 41.133 -99.179 5.597 1.00 55.43 H new ATOM 0 HG3 MET A 26 42.686 -99.305 4.794 1.00 55.43 H new ATOM 0 HE1 MET A 26 40.194 -95.438 5.251 1.00 34.05 H new ATOM 0 HE2 MET A 26 39.870 -96.480 3.844 1.00 34.05 H new ATOM 0 HE3 MET A 26 39.625 -97.107 5.492 1.00 34.05 H new ATOM 376 N PRO A 27 38.859-101.539 2.120 1.00 74.34 N ATOM 377 CA PRO A 27 37.975-101.829 0.975 1.00 71.44 C ATOM 378 C PRO A 27 37.585-100.560 0.206 1.00 34.14 C ATOM 379 O PRO A 27 37.813 -99.442 0.677 1.00 11.14 O ATOM 380 CB PRO A 27 36.733-102.476 1.624 1.00 53.44 C ATOM 381 CG PRO A 27 37.172-102.885 2.993 1.00 33.13 C ATOM 382 CD PRO A 27 38.220-101.885 3.402 1.00 61.22 C ATOM 0 HA PRO A 27 38.462-102.469 0.239 1.00 71.44 H new ATOM 0 HB2 PRO A 27 35.902-101.772 1.671 1.00 53.44 H new ATOM 0 HB3 PRO A 27 36.390-103.335 1.048 1.00 53.44 H new ATOM 0 HG2 PRO A 27 36.334-102.881 3.690 1.00 33.13 H new ATOM 0 HG3 PRO A 27 37.577-103.897 2.988 1.00 33.13 H new ATOM 0 HD2 PRO A 27 37.780-101.012 3.883 1.00 61.22 H new ATOM 0 HD3 PRO A 27 38.933-102.312 4.107 1.00 61.22 H new ATOM 390 N SER A 28 36.999-100.738 -0.975 1.00 3.22 N ATOM 391 CA SER A 28 36.577 -99.617 -1.814 1.00 34.34 C ATOM 392 C SER A 28 35.100 -99.283 -1.572 1.00 61.20 C ATOM 393 O SER A 28 34.367-100.074 -0.969 1.00 25.04 O ATOM 394 CB SER A 28 36.823 -99.960 -3.289 1.00 12.32 C ATOM 395 OG SER A 28 36.256-101.220 -3.624 1.00 70.24 O ATOM 0 H SER A 28 36.804-101.655 -1.376 1.00 3.22 H new ATOM 0 HA SER A 28 37.163 -98.736 -1.552 1.00 34.34 H new ATOM 0 HB2 SER A 28 36.393 -99.184 -3.922 1.00 12.32 H new ATOM 0 HB3 SER A 28 37.895 -99.976 -3.488 1.00 12.32 H new ATOM 0 HG SER A 28 36.425-101.414 -4.570 1.00 70.24 H new ATOM 401 N SER A 29 34.675 -98.103 -2.022 1.00 60.23 N ATOM 402 CA SER A 29 33.288 -97.676 -1.880 1.00 32.34 C ATOM 403 C SER A 29 32.455 -98.121 -3.086 1.00 73.11 C ATOM 404 O SER A 29 32.920 -98.065 -4.231 1.00 31.03 O ATOM 405 CB SER A 29 33.229 -96.154 -1.701 1.00 33.44 C ATOM 406 OG SER A 29 34.040 -95.490 -2.658 1.00 52.53 O ATOM 0 H SER A 29 35.276 -97.425 -2.490 1.00 60.23 H new ATOM 0 HA SER A 29 32.863 -98.148 -0.994 1.00 32.34 H new ATOM 0 HB2 SER A 29 32.198 -95.814 -1.797 1.00 33.44 H new ATOM 0 HB3 SER A 29 33.559 -95.891 -0.696 1.00 33.44 H new ATOM 0 HG SER A 29 33.981 -94.521 -2.521 1.00 52.53 H new ATOM 412 N SER A 30 31.231 -98.571 -2.823 1.00 64.34 N ATOM 413 CA SER A 30 30.338 -99.059 -3.871 1.00 21.24 C ATOM 414 C SER A 30 29.374 -97.959 -4.324 1.00 2.22 C ATOM 415 O SER A 30 28.965 -97.919 -5.486 1.00 33.13 O ATOM 416 CB SER A 30 29.556-100.276 -3.362 1.00 51.34 C ATOM 417 OG SER A 30 30.439-101.281 -2.890 1.00 75.40 O ATOM 0 H SER A 30 30.832 -98.608 -1.885 1.00 64.34 H new ATOM 0 HA SER A 30 30.940 -99.354 -4.730 1.00 21.24 H new ATOM 0 HB2 SER A 30 28.882 -99.972 -2.561 1.00 51.34 H new ATOM 0 HB3 SER A 30 28.937-100.677 -4.164 1.00 51.34 H new ATOM 0 HG SER A 30 29.920-102.048 -2.568 1.00 75.40 H new ATOM 423 N GLU A 31 29.022 -97.065 -3.403 1.00 40.24 N ATOM 424 CA GLU A 31 28.107 -95.971 -3.708 1.00 62.35 C ATOM 425 C GLU A 31 28.857 -94.831 -4.400 1.00 41.11 C ATOM 426 O GLU A 31 29.419 -93.950 -3.746 1.00 60.14 O ATOM 427 CB GLU A 31 27.418 -95.464 -2.429 1.00 12.31 C ATOM 428 CG GLU A 31 26.475 -94.286 -2.658 1.00 22.01 C ATOM 429 CD GLU A 31 25.822 -93.790 -1.379 1.00 14.11 C ATOM 430 OE1 GLU A 31 26.555 -93.382 -0.453 1.00 62.50 O ATOM 431 OE2 GLU A 31 24.573 -93.785 -1.301 1.00 55.42 O ATOM 0 H GLU A 31 29.357 -97.078 -2.440 1.00 40.24 H new ATOM 0 HA GLU A 31 27.337 -96.344 -4.384 1.00 62.35 H new ATOM 0 HB2 GLU A 31 26.857 -96.284 -1.981 1.00 12.31 H new ATOM 0 HB3 GLU A 31 28.182 -95.170 -1.709 1.00 12.31 H new ATOM 0 HG2 GLU A 31 27.030 -93.468 -3.117 1.00 22.01 H new ATOM 0 HG3 GLU A 31 25.699 -94.581 -3.365 1.00 22.01 H new ATOM 438 N ASP A 32 28.900 -94.886 -5.725 1.00 41.14 N ATOM 439 CA ASP A 32 29.532 -93.838 -6.527 1.00 53.41 C ATOM 440 C ASP A 32 28.474 -93.057 -7.295 1.00 74.21 C ATOM 441 O ASP A 32 28.606 -91.851 -7.527 1.00 0.32 O ATOM 442 CB ASP A 32 30.535 -94.465 -7.508 1.00 20.24 C ATOM 443 CG ASP A 32 31.270 -93.428 -8.347 1.00 71.33 C ATOM 444 OD1 ASP A 32 32.307 -92.905 -7.880 1.00 22.21 O ATOM 445 OD2 ASP A 32 30.827 -93.144 -9.483 1.00 71.55 O ATOM 0 H ASP A 32 28.503 -95.649 -6.273 1.00 41.14 H new ATOM 0 HA ASP A 32 30.062 -93.155 -5.863 1.00 53.41 H new ATOM 0 HB2 ASP A 32 31.262 -95.055 -6.949 1.00 20.24 H new ATOM 0 HB3 ASP A 32 30.008 -95.153 -8.169 1.00 20.24 H new ATOM 450 N VAL A 33 27.401 -93.749 -7.654 1.00 64.33 N ATOM 451 CA VAL A 33 26.326 -93.167 -8.448 1.00 3.41 C ATOM 452 C VAL A 33 25.062 -93.026 -7.608 1.00 52.31 C ATOM 453 O VAL A 33 24.801 -93.832 -6.712 1.00 55.05 O ATOM 454 CB VAL A 33 26.013 -94.030 -9.701 1.00 32.24 C ATOM 455 CG1 VAL A 33 25.006 -93.330 -10.617 1.00 21.34 C ATOM 456 CG2 VAL A 33 27.298 -94.380 -10.458 1.00 54.35 C ATOM 0 H VAL A 33 27.251 -94.727 -7.404 1.00 64.33 H new ATOM 0 HA VAL A 33 26.661 -92.183 -8.778 1.00 3.41 H new ATOM 0 HB VAL A 33 25.559 -94.961 -9.362 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.806 -93.958 -11.485 1.00 21.34 H new ATOM 0 HG12 VAL A 33 24.077 -93.158 -10.073 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.416 -92.375 -10.946 1.00 21.34 H new ATOM 0 HG21 VAL A 33 27.053 -94.985 -11.331 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.793 -93.463 -10.779 1.00 54.35 H new ATOM 0 HG23 VAL A 33 27.964 -94.942 -9.803 1.00 54.35 H new ATOM 466 N THR A 34 24.296 -91.988 -7.889 1.00 32.15 N ATOM 467 CA THR A 34 23.020 -91.750 -7.235 1.00 71.11 C ATOM 468 C THR A 34 21.994 -91.295 -8.272 1.00 2.24 C ATOM 469 O THR A 34 22.343 -90.629 -9.251 1.00 60.35 O ATOM 470 CB THR A 34 23.167 -90.692 -6.113 1.00 3.00 C ATOM 471 OG1 THR A 34 24.083 -91.174 -5.117 1.00 50.55 O ATOM 472 CG2 THR A 34 21.821 -90.373 -5.465 1.00 1.10 C ATOM 0 H THR A 34 24.542 -91.281 -8.582 1.00 32.15 H new ATOM 0 HA THR A 34 22.678 -92.678 -6.776 1.00 71.11 H new ATOM 0 HB THR A 34 23.551 -89.774 -6.559 1.00 3.00 H new ATOM 0 HG1 THR A 34 24.177 -90.504 -4.408 1.00 50.55 H new ATOM 0 HG21 THR A 34 21.962 -89.627 -4.682 1.00 1.10 H new ATOM 0 HG22 THR A 34 21.137 -89.983 -6.219 1.00 1.10 H new ATOM 0 HG23 THR A 34 21.402 -91.281 -5.030 1.00 1.10 H new ATOM 480 N THR A 35 20.744 -91.695 -8.088 1.00 71.32 N ATOM 481 CA THR A 35 19.668 -91.305 -8.987 1.00 44.34 C ATOM 482 C THR A 35 18.414 -90.993 -8.184 1.00 64.43 C ATOM 483 O THR A 35 18.027 -91.760 -7.302 1.00 74.11 O ATOM 484 CB THR A 35 19.379 -92.418 -10.021 1.00 51.43 C ATOM 485 OG1 THR A 35 20.550 -92.632 -10.829 1.00 13.30 O ATOM 486 CG2 THR A 35 18.191 -92.066 -10.917 1.00 62.32 C ATOM 0 H THR A 35 20.449 -92.294 -7.317 1.00 71.32 H new ATOM 0 HA THR A 35 19.978 -90.413 -9.531 1.00 44.34 H new ATOM 0 HB THR A 35 19.125 -93.328 -9.477 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.852 -93.559 -10.728 1.00 13.30 H new ATOM 0 HG21 THR A 35 18.021 -92.873 -11.629 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.300 -91.930 -10.304 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.404 -91.144 -11.458 1.00 62.32 H new ATOM 494 N LEU A 36 17.800 -89.852 -8.473 1.00 13.40 N ATOM 495 CA LEU A 36 16.607 -89.411 -7.762 1.00 32.23 C ATOM 496 C LEU A 36 15.590 -88.868 -8.754 1.00 30.20 C ATOM 497 O LEU A 36 15.941 -88.110 -9.660 1.00 35.32 O ATOM 498 CB LEU A 36 16.960 -88.327 -6.726 1.00 70.33 C ATOM 499 CG LEU A 36 17.865 -88.777 -5.566 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.207 -87.596 -4.656 1.00 10.31 C ATOM 501 CD2 LEU A 36 17.201 -89.897 -4.768 1.00 4.14 C ATOM 0 H LEU A 36 18.113 -89.210 -9.202 1.00 13.40 H new ATOM 0 HA LEU A 36 16.180 -90.265 -7.235 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.449 -87.502 -7.244 1.00 70.33 H new ATOM 0 HB3 LEU A 36 16.033 -87.936 -6.307 1.00 70.33 H new ATOM 0 HG LEU A 36 18.793 -89.162 -5.988 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.848 -87.937 -3.843 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.728 -86.832 -5.232 1.00 10.31 H new ATOM 0 HD13 LEU A 36 17.289 -87.177 -4.244 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.857 -90.201 -3.952 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.255 -89.541 -4.359 1.00 4.14 H new ATOM 0 HD23 LEU A 36 17.016 -90.749 -5.422 1.00 4.14 H new ATOM 513 N CYS A 37 14.339 -89.269 -8.591 1.00 71.23 N ATOM 514 CA CYS A 37 13.254 -88.773 -9.433 1.00 40.31 C ATOM 515 C CYS A 37 12.592 -87.577 -8.754 1.00 32.44 C ATOM 516 O CYS A 37 12.286 -87.624 -7.564 1.00 34.41 O ATOM 517 CB CYS A 37 12.236 -89.887 -9.699 1.00 1.21 C ATOM 518 SG CYS A 37 10.763 -89.364 -10.612 1.00 21.43 S ATOM 0 H CYS A 37 14.046 -89.940 -7.881 1.00 71.23 H new ATOM 0 HA CYS A 37 13.656 -88.452 -10.394 1.00 40.31 H new ATOM 0 HB2 CYS A 37 12.728 -90.684 -10.256 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.924 -90.311 -8.744 1.00 1.21 H new ATOM 0 HG CYS A 37 11.070 -88.380 -11.404 1.00 21.43 H new ATOM 524 N TYR A 38 12.389 -86.505 -9.511 1.00 44.52 N ATOM 525 CA TYR A 38 11.872 -85.254 -8.969 1.00 13.14 C ATOM 526 C TYR A 38 10.470 -84.965 -9.485 1.00 33.50 C ATOM 527 O TYR A 38 10.097 -85.377 -10.585 1.00 34.40 O ATOM 528 CB TYR A 38 12.792 -84.082 -9.354 1.00 2.52 C ATOM 529 CG TYR A 38 14.134 -84.072 -8.642 1.00 51.01 C ATOM 530 CD1 TYR A 38 15.056 -85.091 -8.832 1.00 5.21 C ATOM 531 CD2 TYR A 38 14.475 -83.035 -7.777 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.271 -85.080 -8.183 1.00 42.41 C ATOM 533 CE2 TYR A 38 15.693 -83.020 -7.126 1.00 41.03 C ATOM 534 CZ TYR A 38 16.587 -84.047 -7.332 1.00 0.42 C ATOM 535 OH TYR A 38 17.803 -84.042 -6.688 1.00 72.24 O ATOM 0 H TYR A 38 12.577 -86.478 -10.513 1.00 44.52 H new ATOM 0 HA TYR A 38 11.837 -85.360 -7.885 1.00 13.14 H new ATOM 0 HB2 TYR A 38 12.966 -84.112 -10.430 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.275 -83.146 -9.141 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.817 -85.906 -9.499 1.00 5.21 H new ATOM 0 HD2 TYR A 38 13.775 -82.229 -7.613 1.00 74.21 H new ATOM 0 HE1 TYR A 38 16.976 -85.883 -8.343 1.00 42.41 H new ATOM 0 HE2 TYR A 38 15.943 -82.208 -6.459 1.00 41.03 H new ATOM 0 HH TYR A 38 18.304 -83.238 -6.941 1.00 72.24 H new ATOM 545 N ARG A 39 9.702 -84.261 -8.668 1.00 41.31 N ATOM 546 CA ARG A 39 8.410 -83.729 -9.066 1.00 13.40 C ATOM 547 C ARG A 39 8.087 -82.509 -8.211 1.00 14.02 C ATOM 548 O ARG A 39 7.839 -82.632 -7.013 1.00 25.40 O ATOM 549 CB ARG A 39 7.309 -84.793 -8.917 1.00 74.33 C ATOM 550 CG ARG A 39 5.902 -84.259 -9.185 1.00 12.21 C ATOM 551 CD ARG A 39 4.845 -85.357 -9.090 1.00 54.31 C ATOM 552 NE ARG A 39 3.484 -84.826 -9.235 1.00 25.32 N ATOM 553 CZ ARG A 39 2.529 -85.390 -9.980 1.00 14.22 C ATOM 554 NH1 ARG A 39 2.790 -86.476 -10.697 1.00 32.13 N ATOM 555 NH2 ARG A 39 1.312 -84.866 -10.007 1.00 64.21 N ATOM 0 H ARG A 39 9.960 -84.042 -7.706 1.00 41.31 H new ATOM 0 HA ARG A 39 8.453 -83.439 -10.116 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.514 -85.614 -9.604 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.347 -85.204 -7.908 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.671 -83.471 -8.469 1.00 12.21 H new ATOM 0 HG3 ARG A 39 5.868 -83.808 -10.177 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.027 -86.103 -9.864 1.00 54.31 H new ATOM 0 HD3 ARG A 39 4.935 -85.865 -8.130 1.00 54.31 H new ATOM 0 HE ARG A 39 3.252 -83.969 -8.733 1.00 25.32 H new ATOM 0 HH11 ARG A 39 3.724 -86.885 -10.681 1.00 32.13 H new ATOM 0 HH12 ARG A 39 2.056 -86.902 -11.264 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.104 -84.031 -9.459 1.00 64.21 H new ATOM 0 HH22 ARG A 39 0.584 -85.297 -10.576 1.00 64.21 H new ATOM 569 N VAL A 40 8.102 -81.334 -8.826 1.00 72.34 N ATOM 570 CA VAL A 40 7.779 -80.099 -8.125 1.00 72.44 C ATOM 571 C VAL A 40 6.430 -79.583 -8.611 1.00 70.43 C ATOM 572 O VAL A 40 6.093 -79.715 -9.788 1.00 61.43 O ATOM 573 CB VAL A 40 8.868 -79.011 -8.327 1.00 33.24 C ATOM 574 CG1 VAL A 40 8.913 -78.538 -9.776 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.649 -77.835 -7.374 1.00 22.25 C ATOM 0 H VAL A 40 8.335 -81.210 -9.811 1.00 72.34 H new ATOM 0 HA VAL A 40 7.735 -80.318 -7.058 1.00 72.44 H new ATOM 0 HB VAL A 40 9.834 -79.459 -8.094 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.685 -77.776 -9.886 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.140 -79.382 -10.427 1.00 32.30 H new ATOM 0 HG13 VAL A 40 7.946 -78.117 -10.052 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.425 -77.087 -7.535 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.672 -77.391 -7.563 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.694 -78.188 -6.344 1.00 22.25 H new ATOM 585 N THR A 41 5.662 -79.014 -7.703 1.00 2.24 N ATOM 586 CA THR A 41 4.314 -78.564 -8.003 1.00 62.42 C ATOM 587 C THR A 41 4.261 -77.050 -8.190 1.00 74.20 C ATOM 588 O THR A 41 4.710 -76.295 -7.325 1.00 2.33 O ATOM 589 CB THR A 41 3.350 -78.987 -6.871 1.00 55.34 C ATOM 590 OG1 THR A 41 3.963 -78.734 -5.600 1.00 61.12 O ATOM 591 CG2 THR A 41 2.993 -80.465 -6.973 1.00 64.10 C ATOM 0 H THR A 41 5.952 -78.850 -6.739 1.00 2.24 H new ATOM 0 HA THR A 41 4.005 -79.032 -8.938 1.00 62.42 H new ATOM 0 HB THR A 41 2.434 -78.404 -6.969 1.00 55.34 H new ATOM 0 HG1 THR A 41 3.385 -79.074 -4.885 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.314 -80.732 -6.163 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.509 -80.657 -7.931 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.900 -81.064 -6.898 1.00 64.10 H new ATOM 599 N GLY A 42 3.732 -76.616 -9.333 1.00 41.40 N ATOM 600 CA GLY A 42 3.513 -75.204 -9.569 1.00 24.42 C ATOM 601 C GLY A 42 2.190 -74.758 -8.980 1.00 40.24 C ATOM 602 O GLY A 42 1.200 -75.490 -9.063 1.00 32.35 O ATOM 0 H GLY A 42 3.451 -77.224 -10.102 1.00 41.40 H new ATOM 0 HA2 GLY A 42 4.326 -74.627 -9.128 1.00 24.42 H new ATOM 0 HA3 GLY A 42 3.525 -75.004 -10.640 1.00 24.42 H new ATOM 606 N LYS A 43 2.172 -73.568 -8.383 1.00 4.30 N ATOM 607 CA LYS A 43 0.979 -73.046 -7.715 1.00 54.14 C ATOM 608 C LYS A 43 -0.195 -72.993 -8.697 1.00 34.03 C ATOM 609 O LYS A 43 -1.254 -73.579 -8.457 1.00 15.12 O ATOM 610 CB LYS A 43 1.276 -71.648 -7.135 1.00 24.05 C ATOM 611 CG LYS A 43 0.452 -71.280 -5.897 1.00 42.10 C ATOM 612 CD LYS A 43 -1.034 -71.099 -6.203 1.00 4.43 C ATOM 613 CE LYS A 43 -1.832 -70.786 -4.944 1.00 3.20 C ATOM 614 NZ LYS A 43 -1.339 -69.555 -4.266 1.00 10.25 N ATOM 0 H LYS A 43 2.976 -72.942 -8.348 1.00 4.30 H new ATOM 0 HA LYS A 43 0.705 -73.710 -6.895 1.00 54.14 H new ATOM 0 HB2 LYS A 43 2.334 -71.593 -6.880 1.00 24.05 H new ATOM 0 HB3 LYS A 43 1.096 -70.903 -7.909 1.00 24.05 H new ATOM 0 HG2 LYS A 43 0.570 -72.059 -5.144 1.00 42.10 H new ATOM 0 HG3 LYS A 43 0.844 -70.358 -5.467 1.00 42.10 H new ATOM 0 HD2 LYS A 43 -1.162 -70.293 -6.925 1.00 4.43 H new ATOM 0 HD3 LYS A 43 -1.424 -72.006 -6.665 1.00 4.43 H new ATOM 0 HE2 LYS A 43 -2.884 -70.662 -5.202 1.00 3.20 H new ATOM 0 HE3 LYS A 43 -1.770 -71.629 -4.256 1.00 3.20 H new ATOM 0 HZ1 LYS A 43 -2.023 -69.262 -3.539 1.00 10.25 H new ATOM 0 HZ2 LYS A 43 -0.420 -69.749 -3.819 1.00 10.25 H new ATOM 0 HZ3 LYS A 43 -1.229 -68.793 -4.966 1.00 10.25 H new ATOM 628 N VAL A 44 0.010 -72.289 -9.802 1.00 15.21 N ATOM 629 CA VAL A 44 -0.981 -72.195 -10.869 1.00 11.51 C ATOM 630 C VAL A 44 -0.372 -72.679 -12.183 1.00 43.13 C ATOM 631 O VAL A 44 0.170 -71.889 -12.957 1.00 73.31 O ATOM 632 CB VAL A 44 -1.536 -70.746 -11.016 1.00 65.30 C ATOM 633 CG1 VAL A 44 -2.474 -70.413 -9.856 1.00 4.45 C ATOM 634 CG2 VAL A 44 -0.399 -69.722 -11.090 1.00 65.34 C ATOM 0 H VAL A 44 0.867 -71.767 -9.985 1.00 15.21 H new ATOM 0 HA VAL A 44 -1.824 -72.835 -10.608 1.00 11.51 H new ATOM 0 HB VAL A 44 -2.098 -70.696 -11.949 1.00 65.30 H new ATOM 0 HG11 VAL A 44 -2.853 -69.398 -9.974 1.00 4.45 H new ATOM 0 HG12 VAL A 44 -3.309 -71.113 -9.851 1.00 4.45 H new ATOM 0 HG13 VAL A 44 -1.930 -70.490 -8.915 1.00 4.45 H new ATOM 0 HG21 VAL A 44 -0.817 -68.721 -11.192 1.00 65.34 H new ATOM 0 HG22 VAL A 44 0.198 -69.775 -10.179 1.00 65.34 H new ATOM 0 HG23 VAL A 44 0.233 -69.941 -11.951 1.00 65.34 H new ATOM 644 N GLN A 45 -0.435 -74.002 -12.398 1.00 50.12 N ATOM 645 CA GLN A 45 0.174 -74.665 -13.563 1.00 32.13 C ATOM 646 C GLN A 45 1.535 -74.048 -13.904 1.00 53.04 C ATOM 647 O GLN A 45 1.816 -73.697 -15.053 1.00 31.24 O ATOM 648 CB GLN A 45 -0.776 -74.653 -14.780 1.00 23.21 C ATOM 649 CG GLN A 45 -1.139 -73.269 -15.311 1.00 74.44 C ATOM 650 CD GLN A 45 -2.091 -73.330 -16.493 1.00 75.11 C ATOM 651 OE1 GLN A 45 -2.913 -74.242 -16.597 1.00 53.52 O ATOM 652 NE2 GLN A 45 -1.988 -72.366 -17.393 1.00 75.34 N ATOM 0 H GLN A 45 -0.912 -74.645 -11.766 1.00 50.12 H new ATOM 0 HA GLN A 45 0.345 -75.708 -13.297 1.00 32.13 H new ATOM 0 HB2 GLN A 45 -0.314 -75.224 -15.586 1.00 23.21 H new ATOM 0 HB3 GLN A 45 -1.695 -75.172 -14.508 1.00 23.21 H new ATOM 0 HG2 GLN A 45 -1.595 -72.685 -14.512 1.00 74.44 H new ATOM 0 HG3 GLN A 45 -0.229 -72.747 -15.608 1.00 74.44 H new ATOM 0 HE21 GLN A 45 -1.295 -71.628 -17.272 1.00 75.34 H new ATOM 0 HE22 GLN A 45 -2.602 -72.361 -18.208 1.00 75.34 H new ATOM 661 N GLY A 46 2.376 -73.942 -12.877 1.00 33.40 N ATOM 662 CA GLY A 46 3.653 -73.264 -13.003 1.00 5.31 C ATOM 663 C GLY A 46 4.595 -73.930 -13.987 1.00 42.35 C ATOM 664 O GLY A 46 4.625 -75.157 -14.107 1.00 52.52 O ATOM 0 H GLY A 46 2.190 -74.320 -11.948 1.00 33.40 H new ATOM 0 HA2 GLY A 46 3.480 -72.235 -13.317 1.00 5.31 H new ATOM 0 HA3 GLY A 46 4.132 -73.222 -12.025 1.00 5.31 H new ATOM 668 N VAL A 47 5.361 -73.104 -14.692 1.00 50.43 N ATOM 669 CA VAL A 47 6.377 -73.578 -15.622 1.00 62.01 C ATOM 670 C VAL A 47 7.724 -73.673 -14.911 1.00 63.33 C ATOM 671 O VAL A 47 7.806 -73.451 -13.699 1.00 24.14 O ATOM 672 CB VAL A 47 6.493 -72.638 -16.850 1.00 61.21 C ATOM 673 CG1 VAL A 47 5.181 -72.610 -17.635 1.00 73.20 C ATOM 674 CG2 VAL A 47 6.906 -71.228 -16.417 1.00 13.12 C ATOM 0 H VAL A 47 5.294 -72.088 -14.634 1.00 50.43 H new ATOM 0 HA VAL A 47 6.082 -74.565 -15.977 1.00 62.01 H new ATOM 0 HB VAL A 47 7.270 -73.028 -17.508 1.00 61.21 H new ATOM 0 HG11 VAL A 47 5.284 -71.945 -18.492 1.00 73.20 H new ATOM 0 HG12 VAL A 47 4.943 -73.615 -17.982 1.00 73.20 H new ATOM 0 HG13 VAL A 47 4.379 -72.250 -16.991 1.00 73.20 H new ATOM 0 HG21 VAL A 47 6.981 -70.585 -17.294 1.00 13.12 H new ATOM 0 HG22 VAL A 47 6.159 -70.824 -15.734 1.00 13.12 H new ATOM 0 HG23 VAL A 47 7.872 -71.270 -15.914 1.00 13.12 H new ATOM 684 N PHE A 48 8.781 -73.984 -15.654 1.00 44.21 N ATOM 685 CA PHE A 48 10.106 -74.150 -15.063 1.00 43.23 C ATOM 686 C PHE A 48 11.150 -73.415 -15.905 1.00 63.04 C ATOM 687 O PHE A 48 11.164 -73.536 -17.132 1.00 45.54 O ATOM 688 CB PHE A 48 10.442 -75.645 -14.957 1.00 61.12 C ATOM 689 CG PHE A 48 11.376 -75.998 -13.825 1.00 53.24 C ATOM 690 CD1 PHE A 48 11.063 -75.647 -12.519 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.555 -76.691 -14.063 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.906 -75.977 -11.476 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.399 -77.025 -13.021 1.00 23.53 C ATOM 694 CZ PHE A 48 13.076 -76.669 -11.727 1.00 52.33 C ATOM 0 H PHE A 48 8.747 -74.126 -16.664 1.00 44.21 H new ATOM 0 HA PHE A 48 10.113 -73.721 -14.061 1.00 43.23 H new ATOM 0 HB2 PHE A 48 9.515 -76.205 -14.834 1.00 61.12 H new ATOM 0 HB3 PHE A 48 10.890 -75.971 -15.896 1.00 61.12 H new ATOM 0 HD1 PHE A 48 10.149 -75.109 -12.316 1.00 42.11 H new ATOM 0 HD2 PHE A 48 12.815 -76.972 -15.073 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.651 -75.695 -10.465 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.313 -77.565 -13.219 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.736 -76.930 -10.913 1.00 52.33 H new ATOM 704 N PHE A 49 12.004 -72.642 -15.239 1.00 15.34 N ATOM 705 CA PHE A 49 13.023 -71.838 -15.917 1.00 4.40 C ATOM 706 C PHE A 49 14.053 -72.702 -16.666 1.00 62.32 C ATOM 707 O PHE A 49 15.066 -73.133 -16.102 1.00 1.00 O ATOM 708 CB PHE A 49 13.717 -70.865 -14.934 1.00 33.40 C ATOM 709 CG PHE A 49 14.084 -71.428 -13.567 1.00 61.25 C ATOM 710 CD1 PHE A 49 14.053 -72.793 -13.296 1.00 61.52 C ATOM 711 CD2 PHE A 49 14.461 -70.566 -12.544 1.00 2.54 C ATOM 712 CE1 PHE A 49 14.387 -73.275 -12.044 1.00 52.45 C ATOM 713 CE2 PHE A 49 14.797 -71.049 -11.294 1.00 70.11 C ATOM 714 CZ PHE A 49 14.760 -72.402 -11.045 1.00 63.23 C ATOM 0 H PHE A 49 12.012 -72.554 -14.223 1.00 15.34 H new ATOM 0 HA PHE A 49 12.504 -71.245 -16.670 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.627 -70.494 -15.406 1.00 33.40 H new ATOM 0 HB3 PHE A 49 13.063 -70.006 -14.785 1.00 33.40 H new ATOM 0 HD1 PHE A 49 13.764 -73.484 -14.074 1.00 61.52 H new ATOM 0 HD2 PHE A 49 14.492 -69.502 -12.729 1.00 2.54 H new ATOM 0 HE1 PHE A 49 14.356 -74.337 -11.849 1.00 52.45 H new ATOM 0 HE2 PHE A 49 15.089 -70.364 -10.512 1.00 70.11 H new ATOM 0 HZ PHE A 49 15.023 -72.779 -10.068 1.00 63.23 H new ATOM 724 N ARG A 50 13.776 -72.930 -17.954 1.00 20.24 N ATOM 725 CA ARG A 50 14.645 -73.706 -18.844 1.00 11.11 C ATOM 726 C ARG A 50 16.085 -73.194 -18.801 1.00 62.02 C ATOM 727 O ARG A 50 17.036 -73.978 -18.835 1.00 13.04 O ATOM 728 CB ARG A 50 14.108 -73.629 -20.284 1.00 4.24 C ATOM 729 CG ARG A 50 12.853 -74.471 -20.528 1.00 63.42 C ATOM 730 CD ARG A 50 13.195 -75.853 -21.082 1.00 31.41 C ATOM 731 NE ARG A 50 13.703 -75.772 -22.453 1.00 52.04 N ATOM 732 CZ ARG A 50 14.406 -76.725 -23.070 1.00 22.45 C ATOM 733 NH1 ARG A 50 14.753 -77.839 -22.432 1.00 12.14 N ATOM 734 NH2 ARG A 50 14.772 -76.546 -24.331 1.00 70.43 N ATOM 0 H ARG A 50 12.935 -72.578 -18.412 1.00 20.24 H new ATOM 0 HA ARG A 50 14.645 -74.741 -18.504 1.00 11.11 H new ATOM 0 HB2 ARG A 50 13.887 -72.589 -20.523 1.00 4.24 H new ATOM 0 HB3 ARG A 50 14.890 -73.954 -20.970 1.00 4.24 H new ATOM 0 HG2 ARG A 50 12.302 -74.580 -19.594 1.00 63.42 H new ATOM 0 HG3 ARG A 50 12.197 -73.952 -21.227 1.00 63.42 H new ATOM 0 HD2 ARG A 50 13.941 -76.327 -20.444 1.00 31.41 H new ATOM 0 HD3 ARG A 50 12.307 -76.485 -21.059 1.00 31.41 H new ATOM 0 HE ARG A 50 13.504 -74.920 -22.978 1.00 52.04 H new ATOM 0 HH11 ARG A 50 14.482 -77.974 -21.458 1.00 12.14 H new ATOM 0 HH12 ARG A 50 15.290 -78.558 -22.917 1.00 12.14 H new ATOM 0 HH21 ARG A 50 14.516 -75.688 -24.819 1.00 70.43 H new ATOM 0 HH22 ARG A 50 15.309 -77.267 -24.813 1.00 70.43 H new ATOM 748 N LYS A 51 16.223 -71.873 -18.732 1.00 31.42 N ATOM 749 CA LYS A 51 17.529 -71.218 -18.669 1.00 51.24 C ATOM 750 C LYS A 51 18.387 -71.813 -17.549 1.00 43.40 C ATOM 751 O LYS A 51 19.459 -72.386 -17.795 1.00 4.25 O ATOM 752 CB LYS A 51 17.337 -69.710 -18.433 1.00 42.54 C ATOM 753 CG LYS A 51 18.634 -68.899 -18.409 1.00 63.21 C ATOM 754 CD LYS A 51 19.296 -68.838 -19.787 1.00 2.41 C ATOM 755 CE LYS A 51 20.544 -67.959 -19.781 1.00 61.10 C ATOM 756 NZ LYS A 51 21.143 -67.835 -21.138 1.00 63.52 N ATOM 0 H LYS A 51 15.435 -71.226 -18.718 1.00 31.42 H new ATOM 0 HA LYS A 51 18.044 -71.380 -19.616 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.690 -69.313 -19.215 1.00 42.54 H new ATOM 0 HB3 LYS A 51 16.817 -69.567 -17.486 1.00 42.54 H new ATOM 0 HG2 LYS A 51 18.423 -67.887 -18.063 1.00 63.21 H new ATOM 0 HG3 LYS A 51 19.326 -69.343 -17.693 1.00 63.21 H new ATOM 0 HD2 LYS A 51 19.563 -69.845 -20.106 1.00 2.41 H new ATOM 0 HD3 LYS A 51 18.583 -68.451 -20.515 1.00 2.41 H new ATOM 0 HE2 LYS A 51 20.288 -66.968 -19.405 1.00 61.10 H new ATOM 0 HE3 LYS A 51 21.281 -68.379 -19.096 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 21.988 -67.230 -21.091 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 21.411 -68.777 -21.487 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 20.449 -67.410 -21.786 1.00 63.52 H new ATOM 770 N TYR A 52 17.890 -71.692 -16.323 1.00 33.33 N ATOM 771 CA TYR A 52 18.622 -72.132 -15.143 1.00 52.21 C ATOM 772 C TYR A 52 18.703 -73.653 -15.080 1.00 31.13 C ATOM 773 O TYR A 52 19.669 -74.200 -14.552 1.00 33.12 O ATOM 774 CB TYR A 52 17.971 -71.568 -13.876 1.00 51.11 C ATOM 775 CG TYR A 52 18.091 -70.057 -13.770 1.00 65.03 C ATOM 776 CD1 TYR A 52 19.235 -69.473 -13.238 1.00 73.20 C ATOM 777 CD2 TYR A 52 17.074 -69.217 -14.211 1.00 31.11 C ATOM 778 CE1 TYR A 52 19.359 -68.101 -13.145 1.00 34.30 C ATOM 779 CE2 TYR A 52 17.193 -67.842 -14.122 1.00 52.05 C ATOM 780 CZ TYR A 52 18.338 -67.290 -13.588 1.00 23.30 C ATOM 781 OH TYR A 52 18.464 -65.920 -13.499 1.00 53.21 O ATOM 0 H TYR A 52 16.975 -71.289 -16.121 1.00 33.33 H new ATOM 0 HA TYR A 52 19.641 -71.750 -15.211 1.00 52.21 H new ATOM 0 HB2 TYR A 52 16.917 -71.845 -13.861 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.433 -72.026 -13.002 1.00 51.11 H new ATOM 0 HD1 TYR A 52 20.041 -70.103 -12.891 1.00 73.20 H new ATOM 0 HD2 TYR A 52 16.176 -69.646 -14.630 1.00 31.11 H new ATOM 0 HE1 TYR A 52 20.254 -67.665 -12.726 1.00 34.30 H new ATOM 0 HE2 TYR A 52 16.393 -67.204 -14.469 1.00 52.05 H new ATOM 0 HH TYR A 52 17.657 -65.493 -13.855 1.00 53.21 H new ATOM 791 N THR A 53 17.696 -74.328 -15.636 1.00 44.10 N ATOM 792 CA THR A 53 17.695 -75.789 -15.670 1.00 3.41 C ATOM 793 C THR A 53 18.882 -76.298 -16.483 1.00 73.23 C ATOM 794 O THR A 53 19.695 -77.101 -15.994 1.00 72.33 O ATOM 795 CB THR A 53 16.378 -76.332 -16.276 1.00 45.12 C ATOM 796 OG1 THR A 53 15.259 -75.750 -15.594 1.00 53.20 O ATOM 797 CG2 THR A 53 16.302 -77.855 -16.171 1.00 71.23 C ATOM 0 H THR A 53 16.880 -73.891 -16.064 1.00 44.10 H new ATOM 0 HA THR A 53 17.777 -76.148 -14.644 1.00 3.41 H new ATOM 0 HB THR A 53 16.355 -76.062 -17.332 1.00 45.12 H new ATOM 0 HG1 THR A 53 15.534 -75.468 -14.697 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.365 -78.203 -16.606 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.139 -78.299 -16.710 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.348 -78.150 -15.123 1.00 71.23 H new ATOM 805 N LYS A 54 18.998 -75.796 -17.712 1.00 52.34 N ATOM 806 CA LYS A 54 20.069 -76.205 -18.603 1.00 30.44 C ATOM 807 C LYS A 54 21.412 -75.783 -18.024 1.00 3.54 C ATOM 808 O LYS A 54 22.351 -76.569 -17.997 1.00 44.10 O ATOM 809 CB LYS A 54 19.898 -75.590 -20.001 1.00 40.44 C ATOM 810 CG LYS A 54 20.789 -76.241 -21.063 1.00 35.45 C ATOM 811 CD LYS A 54 20.882 -75.404 -22.337 1.00 30.33 C ATOM 812 CE LYS A 54 21.791 -74.192 -22.153 1.00 3.15 C ATOM 813 NZ LYS A 54 23.204 -74.587 -21.886 1.00 23.31 N ATOM 0 H LYS A 54 18.360 -75.105 -18.108 1.00 52.34 H new ATOM 0 HA LYS A 54 20.031 -77.290 -18.698 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.855 -75.682 -20.306 1.00 40.44 H new ATOM 0 HB3 LYS A 54 20.123 -74.525 -19.952 1.00 40.44 H new ATOM 0 HG2 LYS A 54 21.789 -76.388 -20.654 1.00 35.45 H new ATOM 0 HG3 LYS A 54 20.396 -77.228 -21.308 1.00 35.45 H new ATOM 0 HD2 LYS A 54 21.260 -76.022 -23.151 1.00 30.33 H new ATOM 0 HD3 LYS A 54 19.885 -75.071 -22.627 1.00 30.33 H new ATOM 0 HE2 LYS A 54 21.751 -73.570 -23.048 1.00 3.15 H new ATOM 0 HE3 LYS A 54 21.422 -73.585 -21.326 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 23.833 -73.783 -22.084 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 23.304 -74.867 -20.889 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 23.462 -75.387 -22.498 1.00 23.31 H new ATOM 827 N LYS A 55 21.490 -74.538 -17.551 1.00 61.15 N ATOM 828 CA LYS A 55 22.736 -74.001 -17.009 1.00 23.30 C ATOM 829 C LYS A 55 23.249 -74.864 -15.850 1.00 15.04 C ATOM 830 O LYS A 55 24.404 -75.308 -15.853 1.00 2.24 O ATOM 831 CB LYS A 55 22.531 -72.561 -16.523 1.00 11.43 C ATOM 832 CG LYS A 55 23.803 -71.907 -15.989 1.00 64.44 C ATOM 833 CD LYS A 55 23.506 -70.610 -15.246 1.00 65.33 C ATOM 834 CE LYS A 55 24.779 -69.972 -14.696 1.00 14.41 C ATOM 835 NZ LYS A 55 24.482 -68.874 -13.746 1.00 63.50 N ATOM 0 H LYS A 55 20.706 -73.885 -17.533 1.00 61.15 H new ATOM 0 HA LYS A 55 23.478 -74.011 -17.808 1.00 23.30 H new ATOM 0 HB2 LYS A 55 22.142 -71.961 -17.346 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.774 -72.556 -15.739 1.00 11.43 H new ATOM 0 HG2 LYS A 55 24.314 -72.600 -15.320 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.482 -71.704 -16.817 1.00 64.44 H new ATOM 0 HD2 LYS A 55 23.009 -69.911 -15.918 1.00 65.33 H new ATOM 0 HD3 LYS A 55 22.815 -70.810 -14.427 1.00 65.33 H new ATOM 0 HE2 LYS A 55 25.379 -70.732 -14.196 1.00 14.41 H new ATOM 0 HE3 LYS A 55 25.377 -69.586 -15.521 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 25.373 -68.468 -13.396 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 23.931 -68.136 -14.229 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 23.933 -69.247 -12.945 1.00 63.50 H new ATOM 849 N GLU A 56 22.371 -75.109 -14.880 1.00 61.35 N ATOM 850 CA GLU A 56 22.723 -75.856 -13.675 1.00 4.44 C ATOM 851 C GLU A 56 23.131 -77.284 -14.029 1.00 34.44 C ATOM 852 O GLU A 56 24.230 -77.734 -13.686 1.00 61.15 O ATOM 853 CB GLU A 56 21.539 -75.878 -12.696 1.00 12.34 C ATOM 854 CG GLU A 56 21.842 -76.554 -11.361 1.00 53.51 C ATOM 855 CD GLU A 56 22.741 -75.715 -10.460 1.00 25.14 C ATOM 856 OE1 GLU A 56 23.978 -75.771 -10.614 1.00 24.04 O ATOM 857 OE2 GLU A 56 22.210 -74.999 -9.581 1.00 63.10 O ATOM 0 H GLU A 56 21.400 -74.797 -14.907 1.00 61.35 H new ATOM 0 HA GLU A 56 23.568 -75.359 -13.199 1.00 4.44 H new ATOM 0 HB2 GLU A 56 21.219 -74.853 -12.507 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.701 -76.391 -13.168 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.905 -76.758 -10.842 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.319 -77.516 -11.547 1.00 53.51 H new ATOM 864 N ALA A 57 22.246 -77.988 -14.739 1.00 2.01 N ATOM 865 CA ALA A 57 22.496 -79.381 -15.101 1.00 74.43 C ATOM 866 C ALA A 57 23.766 -79.508 -15.940 1.00 71.13 C ATOM 867 O ALA A 57 24.577 -80.409 -15.725 1.00 12.10 O ATOM 868 CB ALA A 57 21.297 -79.957 -15.844 1.00 4.12 C ATOM 0 H ALA A 57 21.356 -77.617 -15.072 1.00 2.01 H new ATOM 0 HA ALA A 57 22.643 -79.953 -14.185 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.497 -80.996 -16.108 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.415 -79.908 -15.205 1.00 4.12 H new ATOM 0 HB3 ALA A 57 21.120 -79.380 -16.752 1.00 4.12 H new ATOM 874 N ASP A 58 23.940 -78.587 -16.880 1.00 44.45 N ATOM 875 CA ASP A 58 25.104 -78.586 -17.769 1.00 61.14 C ATOM 876 C ASP A 58 26.390 -78.339 -16.986 1.00 50.21 C ATOM 877 O ASP A 58 27.420 -78.962 -17.254 1.00 33.21 O ATOM 878 CB ASP A 58 24.934 -77.515 -18.855 1.00 0.41 C ATOM 879 CG ASP A 58 26.124 -77.411 -19.797 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.210 -78.215 -20.751 1.00 32.14 O ATOM 881 OD2 ASP A 58 26.957 -76.497 -19.612 1.00 22.10 O ATOM 0 H ASP A 58 23.286 -77.823 -17.050 1.00 44.45 H new ATOM 0 HA ASP A 58 25.175 -79.566 -18.240 1.00 61.14 H new ATOM 0 HB2 ASP A 58 24.039 -77.737 -19.436 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.773 -76.548 -18.378 1.00 0.41 H new ATOM 886 N ALA A 59 26.321 -77.438 -16.008 1.00 41.11 N ATOM 887 CA ALA A 59 27.493 -77.066 -15.219 1.00 31.13 C ATOM 888 C ALA A 59 27.930 -78.212 -14.305 1.00 41.12 C ATOM 889 O ALA A 59 29.099 -78.593 -14.289 1.00 73.43 O ATOM 890 CB ALA A 59 27.202 -75.809 -14.402 1.00 33.22 C ATOM 0 H ALA A 59 25.465 -76.952 -15.743 1.00 41.11 H new ATOM 0 HA ALA A 59 28.313 -76.856 -15.906 1.00 31.13 H new ATOM 0 HB1 ALA A 59 28.083 -75.542 -13.818 1.00 33.22 H new ATOM 0 HB2 ALA A 59 26.950 -74.989 -15.074 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.365 -75.998 -13.730 1.00 33.22 H new ATOM 896 N LEU A 60 26.983 -78.771 -13.556 1.00 54.24 N ATOM 897 CA LEU A 60 27.285 -79.845 -12.607 1.00 74.52 C ATOM 898 C LEU A 60 27.254 -81.219 -13.287 1.00 2.20 C ATOM 899 O LEU A 60 27.582 -82.229 -12.669 1.00 5.04 O ATOM 900 CB LEU A 60 26.309 -79.803 -11.417 1.00 10.34 C ATOM 901 CG LEU A 60 26.649 -78.795 -10.301 1.00 60.33 C ATOM 902 CD1 LEU A 60 27.901 -79.230 -9.544 1.00 41.11 C ATOM 903 CD2 LEU A 60 26.820 -77.386 -10.864 1.00 51.52 C ATOM 0 H LEU A 60 26.000 -78.500 -13.586 1.00 54.24 H new ATOM 0 HA LEU A 60 28.296 -79.686 -12.233 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.314 -79.573 -11.797 1.00 10.34 H new ATOM 0 HB3 LEU A 60 26.260 -80.799 -10.977 1.00 10.34 H new ATOM 0 HG LEU A 60 25.814 -78.776 -9.601 1.00 60.33 H new ATOM 0 HD11 LEU A 60 28.123 -78.505 -8.761 1.00 41.11 H new ATOM 0 HD12 LEU A 60 27.733 -80.209 -9.095 1.00 41.11 H new ATOM 0 HD13 LEU A 60 28.742 -79.287 -10.235 1.00 41.11 H new ATOM 0 HD21 LEU A 60 27.059 -76.697 -10.054 1.00 51.52 H new ATOM 0 HD22 LEU A 60 27.629 -77.382 -11.595 1.00 51.52 H new ATOM 0 HD23 LEU A 60 25.894 -77.072 -11.346 1.00 51.52 H new ATOM 915 N SER A 61 26.847 -81.239 -14.558 1.00 74.52 N ATOM 916 CA SER A 61 26.919 -82.442 -15.388 1.00 3.53 C ATOM 917 C SER A 61 25.951 -83.525 -14.903 1.00 64.03 C ATOM 918 O SER A 61 26.330 -84.682 -14.712 1.00 34.12 O ATOM 919 CB SER A 61 28.364 -82.972 -15.427 1.00 74.53 C ATOM 920 OG SER A 61 29.260 -81.968 -15.881 1.00 63.03 O ATOM 0 H SER A 61 26.460 -80.426 -15.038 1.00 74.52 H new ATOM 0 HA SER A 61 26.616 -82.172 -16.400 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.660 -83.306 -14.433 1.00 74.53 H new ATOM 0 HB3 SER A 61 28.420 -83.839 -16.085 1.00 74.53 H new ATOM 0 HG SER A 61 30.172 -82.326 -15.896 1.00 63.03 H new ATOM 926 N LEU A 62 24.687 -83.143 -14.726 1.00 73.12 N ATOM 927 CA LEU A 62 23.642 -84.100 -14.371 1.00 32.44 C ATOM 928 C LEU A 62 23.022 -84.683 -15.637 1.00 13.42 C ATOM 929 O LEU A 62 22.892 -83.988 -16.650 1.00 54.02 O ATOM 930 CB LEU A 62 22.536 -83.450 -13.513 1.00 62.02 C ATOM 931 CG LEU A 62 22.951 -82.979 -12.107 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.742 -84.066 -11.380 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.735 -81.676 -12.183 1.00 20.31 C ATOM 0 H LEU A 62 24.363 -82.181 -14.822 1.00 73.12 H new ATOM 0 HA LEU A 62 24.106 -84.891 -13.782 1.00 32.44 H new ATOM 0 HB2 LEU A 62 22.140 -82.593 -14.058 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.720 -84.165 -13.407 1.00 62.02 H new ATOM 0 HG LEU A 62 22.047 -82.788 -11.529 1.00 31.13 H new ATOM 0 HD11 LEU A 62 24.024 -83.710 -10.389 1.00 22.14 H new ATOM 0 HD12 LEU A 62 23.126 -84.960 -11.283 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.641 -84.304 -11.949 1.00 22.14 H new ATOM 0 HD21 LEU A 62 24.018 -81.362 -11.178 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.633 -81.826 -12.782 1.00 20.31 H new ATOM 0 HD23 LEU A 62 23.116 -80.905 -12.643 1.00 20.31 H new ATOM 945 N VAL A 63 22.660 -85.957 -15.584 1.00 63.31 N ATOM 946 CA VAL A 63 21.978 -86.614 -16.695 1.00 53.30 C ATOM 947 C VAL A 63 20.607 -87.107 -16.244 1.00 24.01 C ATOM 948 O VAL A 63 20.386 -87.327 -15.052 1.00 52.40 O ATOM 949 CB VAL A 63 22.801 -87.799 -17.267 1.00 11.42 C ATOM 950 CG1 VAL A 63 24.141 -87.311 -17.817 1.00 23.31 C ATOM 951 CG2 VAL A 63 23.014 -88.880 -16.211 1.00 10.23 C ATOM 0 H VAL A 63 22.828 -86.561 -14.779 1.00 63.31 H new ATOM 0 HA VAL A 63 21.864 -85.878 -17.491 1.00 53.30 H new ATOM 0 HB VAL A 63 22.232 -88.237 -18.087 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.702 -88.158 -18.213 1.00 23.31 H new ATOM 0 HG12 VAL A 63 23.966 -86.588 -18.613 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.712 -86.839 -17.018 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.593 -89.698 -16.639 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.553 -88.459 -15.363 1.00 10.23 H new ATOM 0 HG23 VAL A 63 22.048 -89.257 -15.876 1.00 10.23 H new ATOM 961 N GLY A 64 19.689 -87.251 -17.190 1.00 15.23 N ATOM 962 CA GLY A 64 18.343 -87.698 -16.874 1.00 55.25 C ATOM 963 C GLY A 64 17.326 -87.104 -17.822 1.00 30.41 C ATOM 964 O GLY A 64 17.540 -87.100 -19.039 1.00 63.55 O ATOM 0 H GLY A 64 19.853 -87.065 -18.179 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.298 -88.786 -16.925 1.00 55.25 H new ATOM 0 HA3 GLY A 64 18.096 -87.417 -15.850 1.00 55.25 H new ATOM 968 N TYR A 65 16.220 -86.597 -17.282 1.00 73.32 N ATOM 969 CA TYR A 65 15.195 -85.966 -18.108 1.00 13.32 C ATOM 970 C TYR A 65 14.198 -85.191 -17.248 1.00 31.43 C ATOM 971 O TYR A 65 14.038 -85.482 -16.064 1.00 30.44 O ATOM 972 CB TYR A 65 14.482 -87.019 -18.989 1.00 12.34 C ATOM 973 CG TYR A 65 13.071 -87.387 -18.559 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.844 -88.345 -17.575 1.00 2.54 C ATOM 975 CD2 TYR A 65 11.968 -86.783 -19.157 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.559 -88.689 -17.203 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.683 -87.119 -18.785 1.00 74.34 C ATOM 978 CZ TYR A 65 10.484 -88.073 -17.810 1.00 4.14 C ATOM 979 OH TYR A 65 9.203 -88.424 -17.450 1.00 22.34 O ATOM 0 H TYR A 65 16.012 -86.611 -16.284 1.00 73.32 H new ATOM 0 HA TYR A 65 15.682 -85.249 -18.770 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.445 -86.646 -20.012 1.00 12.34 H new ATOM 0 HB3 TYR A 65 15.087 -87.926 -19.002 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.684 -88.826 -17.096 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.121 -86.039 -19.925 1.00 43.24 H new ATOM 0 HE1 TYR A 65 11.397 -89.437 -16.441 1.00 14.21 H new ATOM 0 HE2 TYR A 65 9.838 -86.638 -19.255 1.00 74.34 H new ATOM 0 HH TYR A 65 9.193 -88.710 -16.513 1.00 22.34 H new ATOM 989 N VAL A 66 13.533 -84.205 -17.855 1.00 23.54 N ATOM 990 CA VAL A 66 12.512 -83.402 -17.173 1.00 72.34 C ATOM 991 C VAL A 66 11.327 -83.169 -18.109 1.00 10.41 C ATOM 992 O VAL A 66 11.515 -83.108 -19.326 1.00 63.31 O ATOM 993 CB VAL A 66 13.085 -82.037 -16.682 1.00 1.11 C ATOM 994 CG1 VAL A 66 11.972 -81.054 -16.316 1.00 51.44 C ATOM 995 CG2 VAL A 66 14.010 -82.247 -15.488 1.00 12.42 C ATOM 0 H VAL A 66 13.685 -83.941 -18.828 1.00 23.54 H new ATOM 0 HA VAL A 66 12.180 -83.955 -16.294 1.00 72.34 H new ATOM 0 HB VAL A 66 13.654 -81.606 -17.506 1.00 1.11 H new ATOM 0 HG11 VAL A 66 12.412 -80.115 -15.979 1.00 51.44 H new ATOM 0 HG12 VAL A 66 11.348 -80.869 -17.190 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.362 -81.476 -15.518 1.00 51.44 H new ATOM 0 HG21 VAL A 66 14.402 -81.285 -15.157 1.00 12.42 H new ATOM 0 HG22 VAL A 66 13.454 -82.711 -14.674 1.00 12.42 H new ATOM 0 HG23 VAL A 66 14.837 -82.895 -15.778 1.00 12.42 H new ATOM 1005 N THR A 67 10.126 -83.038 -17.524 1.00 33.35 N ATOM 1006 CA THR A 67 8.872 -82.881 -18.261 1.00 62.00 C ATOM 1007 C THR A 67 7.813 -82.240 -17.355 1.00 43.22 C ATOM 1008 O THR A 67 7.955 -82.244 -16.131 1.00 43.20 O ATOM 1009 CB THR A 67 8.335 -84.238 -18.785 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.130 -84.036 -19.533 1.00 12.03 O ATOM 1011 CG2 THR A 67 8.055 -85.207 -17.642 1.00 52.41 C ATOM 0 H THR A 67 10.002 -83.039 -16.512 1.00 33.35 H new ATOM 0 HA THR A 67 9.076 -82.241 -19.119 1.00 62.00 H new ATOM 0 HB THR A 67 9.104 -84.669 -19.426 1.00 20.20 H new ATOM 0 HG1 THR A 67 6.800 -84.899 -19.861 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.680 -86.147 -18.046 1.00 52.41 H new ATOM 0 HG22 THR A 67 8.975 -85.391 -17.088 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.309 -84.776 -16.974 1.00 52.41 H new ATOM 1019 N ASN A 68 6.756 -81.692 -17.951 1.00 24.14 N ATOM 1020 CA ASN A 68 5.688 -81.039 -17.187 1.00 73.40 C ATOM 1021 C ASN A 68 4.382 -81.821 -17.324 1.00 73.12 C ATOM 1022 O ASN A 68 4.030 -82.272 -18.413 1.00 10.52 O ATOM 1023 CB ASN A 68 5.500 -79.593 -17.666 1.00 71.15 C ATOM 1024 CG ASN A 68 4.352 -78.873 -16.970 1.00 11.14 C ATOM 1025 OD1 ASN A 68 3.218 -78.894 -17.446 1.00 14.14 O ATOM 1026 ND2 ASN A 68 4.634 -78.222 -15.846 1.00 71.23 N ATOM 0 H ASN A 68 6.614 -81.686 -18.961 1.00 24.14 H new ATOM 0 HA ASN A 68 5.972 -81.022 -16.135 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.423 -79.039 -17.497 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.321 -79.594 -18.741 1.00 71.15 H new ATOM 0 HD21 ASN A 68 3.898 -77.719 -15.350 1.00 71.23 H new ATOM 0 HD22 ASN A 68 5.586 -78.226 -15.480 1.00 71.23 H new ATOM 1033 N ASN A 69 3.678 -81.993 -16.210 1.00 74.00 N ATOM 1034 CA ASN A 69 2.415 -82.732 -16.192 1.00 52.24 C ATOM 1035 C ASN A 69 1.241 -81.780 -16.388 1.00 5.25 C ATOM 1036 O ASN A 69 1.370 -80.573 -16.179 1.00 52.52 O ATOM 1037 CB ASN A 69 2.240 -83.482 -14.858 1.00 72.13 C ATOM 1038 CG ASN A 69 3.222 -84.631 -14.655 1.00 72.22 C ATOM 1039 OD1 ASN A 69 4.432 -84.500 -15.181 1.00 2.34 O flip ATOM 1040 ND2 ASN A 69 2.893 -85.626 -14.011 1.00 31.15 N flip ATOM 0 H ASN A 69 3.961 -81.629 -15.300 1.00 74.00 H new ATOM 0 HA ASN A 69 2.438 -83.455 -17.008 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.353 -82.773 -14.038 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.224 -83.873 -14.804 1.00 72.13 H new ATOM 0 HD21 ASN A 69 1.953 -85.693 -13.621 1.00 31.15 H new ATOM 0 HD22 ASN A 69 3.560 -86.384 -13.867 1.00 31.15 H new ATOM 1047 N GLU A 70 0.088 -82.333 -16.768 1.00 63.52 N ATOM 1048 CA GLU A 70 -1.138 -81.547 -16.926 1.00 54.22 C ATOM 1049 C GLU A 70 -1.517 -80.871 -15.606 1.00 23.41 C ATOM 1050 O GLU A 70 -2.201 -79.846 -15.592 1.00 22.31 O ATOM 1051 CB GLU A 70 -2.282 -82.446 -17.412 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.618 -83.590 -16.462 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.618 -84.565 -17.057 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -4.838 -84.303 -16.971 1.00 32.11 O ATOM 1055 OE2 GLU A 70 -3.184 -85.594 -17.622 1.00 22.30 O ATOM 0 H GLU A 70 -0.023 -83.326 -16.973 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.960 -80.771 -17.670 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -3.173 -81.835 -17.559 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -2.016 -82.861 -18.384 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.704 -84.124 -16.204 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -3.021 -83.182 -15.535 1.00 73.50 H new ATOM 1062 N ASP A 71 -1.044 -81.454 -14.503 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.263 -80.907 -13.163 1.00 52.32 C ATOM 1064 C ASP A 71 -0.569 -79.558 -12.998 1.00 60.33 C ATOM 1065 O ASP A 71 -0.888 -78.794 -12.087 1.00 61.33 O ATOM 1066 CB ASP A 71 -0.722 -81.872 -12.098 1.00 72.43 C ATOM 1067 CG ASP A 71 -1.428 -83.214 -12.090 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -1.122 -84.057 -12.962 1.00 23.34 O ATOM 1069 OD2 ASP A 71 -2.277 -83.443 -11.200 1.00 44.11 O ATOM 0 H ASP A 71 -0.500 -82.317 -14.513 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.337 -80.774 -13.035 1.00 52.32 H new ATOM 0 HB2 ASP A 71 0.343 -82.031 -12.269 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -0.822 -81.411 -11.115 1.00 72.43 H new ATOM 1074 N GLY A 72 0.380 -79.273 -13.880 1.00 2.22 N ATOM 1075 CA GLY A 72 1.209 -78.092 -13.730 1.00 24.21 C ATOM 1076 C GLY A 72 2.388 -78.366 -12.823 1.00 64.40 C ATOM 1077 O GLY A 72 2.976 -77.451 -12.245 1.00 24.14 O ATOM 0 H GLY A 72 0.591 -79.841 -14.700 1.00 2.22 H new ATOM 0 HA2 GLY A 72 1.566 -77.768 -14.708 1.00 24.21 H new ATOM 0 HA3 GLY A 72 0.614 -77.276 -13.321 1.00 24.21 H new ATOM 1081 N SER A 73 2.724 -79.643 -12.697 1.00 74.30 N ATOM 1082 CA SER A 73 3.844 -80.081 -11.882 1.00 53.52 C ATOM 1083 C SER A 73 4.983 -80.558 -12.781 1.00 5.24 C ATOM 1084 O SER A 73 4.757 -81.318 -13.725 1.00 20.32 O ATOM 1085 CB SER A 73 3.390 -81.208 -10.948 1.00 23.04 C ATOM 1086 OG SER A 73 2.221 -80.834 -10.231 1.00 33.31 O ATOM 0 H SER A 73 2.225 -80.404 -13.159 1.00 74.30 H new ATOM 0 HA SER A 73 4.203 -79.247 -11.279 1.00 53.52 H new ATOM 0 HB2 SER A 73 3.192 -82.109 -11.529 1.00 23.04 H new ATOM 0 HB3 SER A 73 4.189 -81.449 -10.247 1.00 23.04 H new ATOM 0 HG SER A 73 1.858 -81.617 -9.767 1.00 33.31 H new ATOM 1092 N VAL A 74 6.194 -80.101 -12.502 1.00 2.14 N ATOM 1093 CA VAL A 74 7.358 -80.460 -13.304 1.00 23.14 C ATOM 1094 C VAL A 74 8.045 -81.685 -12.706 1.00 45.15 C ATOM 1095 O VAL A 74 8.560 -81.630 -11.588 1.00 50.12 O ATOM 1096 CB VAL A 74 8.364 -79.282 -13.388 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.498 -79.601 -14.360 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.647 -77.989 -13.781 1.00 44.21 C ATOM 0 H VAL A 74 6.399 -79.477 -11.722 1.00 2.14 H new ATOM 0 HA VAL A 74 7.016 -80.691 -14.313 1.00 23.14 H new ATOM 0 HB VAL A 74 8.804 -79.137 -12.401 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.190 -78.760 -14.401 1.00 25.24 H new ATOM 0 HG12 VAL A 74 10.029 -80.491 -14.021 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.086 -79.781 -15.353 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.369 -77.174 -13.835 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.172 -78.118 -14.754 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.888 -77.753 -13.035 1.00 44.21 H new ATOM 1108 N SER A 75 8.036 -82.788 -13.441 1.00 24.41 N ATOM 1109 CA SER A 75 8.609 -84.044 -12.968 1.00 33.53 C ATOM 1110 C SER A 75 9.760 -84.485 -13.868 1.00 25.55 C ATOM 1111 O SER A 75 9.874 -84.031 -15.006 1.00 44.43 O ATOM 1112 CB SER A 75 7.519 -85.123 -12.923 1.00 45.42 C ATOM 1113 OG SER A 75 6.881 -85.264 -14.186 1.00 50.11 O ATOM 0 H SER A 75 7.634 -82.840 -14.377 1.00 24.41 H new ATOM 0 HA SER A 75 9.005 -83.895 -11.964 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.959 -86.075 -12.627 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.779 -84.864 -12.166 1.00 45.42 H new ATOM 0 HG SER A 75 6.005 -84.826 -14.161 1.00 50.11 H new ATOM 1119 N GLY A 76 10.601 -85.369 -13.354 1.00 32.44 N ATOM 1120 CA GLY A 76 11.730 -85.868 -14.115 1.00 51.54 C ATOM 1121 C GLY A 76 12.623 -86.756 -13.274 1.00 43.42 C ATOM 1122 O GLY A 76 12.247 -87.144 -12.167 1.00 53.55 O ATOM 0 H GLY A 76 10.521 -85.754 -12.413 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.369 -86.428 -14.978 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.309 -85.029 -14.499 1.00 51.54 H new ATOM 1126 N VAL A 77 13.800 -87.083 -13.792 1.00 42.05 N ATOM 1127 CA VAL A 77 14.759 -87.928 -13.081 1.00 43.44 C ATOM 1128 C VAL A 77 16.172 -87.381 -13.275 1.00 74.14 C ATOM 1129 O VAL A 77 16.519 -86.934 -14.373 1.00 42.33 O ATOM 1130 CB VAL A 77 14.712 -89.401 -13.576 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.660 -90.280 -12.761 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.287 -89.957 -13.529 1.00 44.22 C ATOM 0 H VAL A 77 14.118 -86.774 -14.710 1.00 42.05 H new ATOM 0 HA VAL A 77 14.488 -87.915 -12.025 1.00 43.44 H new ATOM 0 HB VAL A 77 15.042 -89.412 -14.615 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.609 -91.306 -13.126 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.679 -89.908 -12.864 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.368 -90.254 -11.711 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.287 -90.989 -13.881 1.00 44.22 H new ATOM 0 HG22 VAL A 77 12.917 -89.923 -12.504 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.641 -89.356 -14.168 1.00 44.22 H new ATOM 1142 N VAL A 78 16.972 -87.407 -12.210 1.00 11.12 N ATOM 1143 CA VAL A 78 18.360 -86.954 -12.265 1.00 13.11 C ATOM 1144 C VAL A 78 19.289 -88.097 -11.865 1.00 3.40 C ATOM 1145 O VAL A 78 18.940 -88.919 -11.009 1.00 63.53 O ATOM 1146 CB VAL A 78 18.604 -85.741 -11.329 1.00 55.53 C ATOM 1147 CG1 VAL A 78 18.860 -86.190 -9.891 1.00 52.34 C ATOM 1148 CG2 VAL A 78 19.756 -84.884 -11.836 1.00 23.42 C ATOM 0 H VAL A 78 16.679 -87.740 -11.292 1.00 11.12 H new ATOM 0 HA VAL A 78 18.568 -86.640 -13.288 1.00 13.11 H new ATOM 0 HB VAL A 78 17.698 -85.135 -11.335 1.00 55.53 H new ATOM 0 HG11 VAL A 78 19.027 -85.316 -9.261 1.00 52.34 H new ATOM 0 HG12 VAL A 78 17.995 -86.742 -9.523 1.00 52.34 H new ATOM 0 HG13 VAL A 78 19.740 -86.832 -9.862 1.00 52.34 H new ATOM 0 HG21 VAL A 78 19.906 -84.041 -11.162 1.00 23.42 H new ATOM 0 HG22 VAL A 78 20.666 -85.483 -11.875 1.00 23.42 H new ATOM 0 HG23 VAL A 78 19.522 -84.514 -12.834 1.00 23.42 H new ATOM 1158 N GLN A 79 20.462 -88.151 -12.484 1.00 61.04 N ATOM 1159 CA GLN A 79 21.429 -89.216 -12.234 1.00 72.34 C ATOM 1160 C GLN A 79 22.836 -88.622 -12.170 1.00 51.25 C ATOM 1161 O GLN A 79 23.136 -87.653 -12.876 1.00 1.41 O ATOM 1162 CB GLN A 79 21.364 -90.265 -13.359 1.00 75.34 C ATOM 1163 CG GLN A 79 19.978 -90.427 -13.982 1.00 65.40 C ATOM 1164 CD GLN A 79 19.980 -91.302 -15.219 1.00 13.34 C ATOM 1165 OE1 GLN A 79 19.224 -91.069 -16.159 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.803 -92.336 -15.213 1.00 41.24 N ATOM 0 H GLN A 79 20.770 -87.462 -13.170 1.00 61.04 H new ATOM 0 HA GLN A 79 21.191 -89.698 -11.286 1.00 72.34 H new ATOM 0 HB2 GLN A 79 22.072 -89.988 -14.140 1.00 75.34 H new ATOM 0 HB3 GLN A 79 21.687 -91.228 -12.963 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.302 -90.856 -13.242 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.585 -89.444 -14.241 1.00 65.40 H new ATOM 0 HE21 GLN A 79 21.416 -92.496 -14.413 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.826 -92.974 -16.008 1.00 41.24 H new ATOM 1175 N GLY A 80 23.691 -89.196 -11.326 1.00 73.20 N ATOM 1176 CA GLY A 80 25.070 -88.745 -11.234 1.00 70.11 C ATOM 1177 C GLY A 80 25.636 -88.941 -9.843 1.00 45.11 C ATOM 1178 O GLY A 80 25.011 -89.607 -9.016 1.00 30.00 O ATOM 0 H GLY A 80 23.452 -89.967 -10.703 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.679 -89.291 -11.954 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.126 -87.690 -11.504 1.00 70.11 H new ATOM 1182 N PRO A 81 26.829 -88.393 -9.553 1.00 21.24 N ATOM 1183 CA PRO A 81 27.428 -88.474 -8.217 1.00 24.25 C ATOM 1184 C PRO A 81 26.566 -87.769 -7.169 1.00 43.11 C ATOM 1185 O PRO A 81 25.878 -86.790 -7.471 1.00 61.12 O ATOM 1186 CB PRO A 81 28.788 -87.774 -8.368 1.00 14.12 C ATOM 1187 CG PRO A 81 28.669 -86.951 -9.612 1.00 1.43 C ATOM 1188 CD PRO A 81 27.690 -87.667 -10.505 1.00 73.32 C ATOM 0 HA PRO A 81 27.521 -89.504 -7.873 1.00 24.25 H new ATOM 0 HB2 PRO A 81 29.008 -87.149 -7.502 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.597 -88.499 -8.452 1.00 14.12 H new ATOM 0 HG2 PRO A 81 28.319 -85.945 -9.380 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.637 -86.846 -10.102 1.00 1.43 H new ATOM 0 HD2 PRO A 81 27.116 -86.969 -11.114 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.195 -88.348 -11.191 1.00 73.32 H new ATOM 1196 N LYS A 82 26.626 -88.271 -5.940 1.00 34.24 N ATOM 1197 CA LYS A 82 25.806 -87.771 -4.836 1.00 65.22 C ATOM 1198 C LYS A 82 25.879 -86.251 -4.731 1.00 10.03 C ATOM 1199 O LYS A 82 24.855 -85.580 -4.636 1.00 13.55 O ATOM 1200 CB LYS A 82 26.266 -88.434 -3.520 1.00 54.13 C ATOM 1201 CG LYS A 82 25.481 -88.031 -2.261 1.00 14.43 C ATOM 1202 CD LYS A 82 25.916 -86.676 -1.694 1.00 71.14 C ATOM 1203 CE LYS A 82 25.349 -86.436 -0.298 1.00 51.01 C ATOM 1204 NZ LYS A 82 25.775 -87.488 0.663 1.00 4.33 N ATOM 0 H LYS A 82 27.245 -89.038 -5.678 1.00 34.24 H new ATOM 0 HA LYS A 82 24.765 -88.030 -5.028 1.00 65.22 H new ATOM 0 HB2 LYS A 82 26.199 -89.516 -3.637 1.00 54.13 H new ATOM 0 HB3 LYS A 82 27.318 -88.195 -3.362 1.00 54.13 H new ATOM 0 HG2 LYS A 82 24.418 -87.995 -2.498 1.00 14.43 H new ATOM 0 HG3 LYS A 82 25.612 -88.797 -1.497 1.00 14.43 H new ATOM 0 HD2 LYS A 82 27.004 -86.630 -1.657 1.00 71.14 H new ATOM 0 HD3 LYS A 82 25.586 -85.880 -2.362 1.00 71.14 H new ATOM 0 HE2 LYS A 82 25.675 -85.461 0.063 1.00 51.01 H new ATOM 0 HE3 LYS A 82 24.260 -86.410 -0.348 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 25.718 -87.116 1.633 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 25.151 -88.315 0.572 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 26.755 -87.770 0.457 1.00 4.33 H new ATOM 1218 N GLU A 83 27.092 -85.712 -4.764 1.00 45.34 N ATOM 1219 CA GLU A 83 27.305 -84.288 -4.509 1.00 53.14 C ATOM 1220 C GLU A 83 26.738 -83.423 -5.637 1.00 41.52 C ATOM 1221 O GLU A 83 26.246 -82.315 -5.395 1.00 1.31 O ATOM 1222 CB GLU A 83 28.795 -84.005 -4.307 1.00 53.44 C ATOM 1223 CG GLU A 83 29.671 -84.531 -5.431 1.00 34.25 C ATOM 1224 CD GLU A 83 31.110 -84.068 -5.316 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.366 -82.863 -5.507 1.00 53.32 O ATOM 1226 OE2 GLU A 83 31.991 -84.912 -5.037 1.00 25.22 O ATOM 0 H GLU A 83 27.943 -86.237 -4.964 1.00 45.34 H new ATOM 0 HA GLU A 83 26.769 -84.026 -3.597 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.943 -82.929 -4.215 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.117 -84.452 -3.367 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.643 -85.621 -5.429 1.00 34.25 H new ATOM 0 HG3 GLU A 83 29.263 -84.204 -6.387 1.00 34.25 H new ATOM 1233 N GLN A 84 26.799 -83.925 -6.866 1.00 71.32 N ATOM 1234 CA GLN A 84 26.249 -83.202 -8.012 1.00 73.41 C ATOM 1235 C GLN A 84 24.721 -83.272 -7.992 1.00 4.41 C ATOM 1236 O GLN A 84 24.038 -82.286 -8.283 1.00 35.12 O ATOM 1237 CB GLN A 84 26.810 -83.753 -9.335 1.00 70.43 C ATOM 1238 CG GLN A 84 28.167 -83.167 -9.740 1.00 43.51 C ATOM 1239 CD GLN A 84 29.242 -83.314 -8.675 1.00 53.33 C ATOM 1240 OE1 GLN A 84 29.956 -84.315 -8.625 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.367 -82.316 -7.813 1.00 5.13 N ATOM 0 H GLN A 84 27.221 -84.825 -7.096 1.00 71.32 H new ATOM 0 HA GLN A 84 26.550 -82.157 -7.939 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.906 -84.836 -9.252 1.00 70.43 H new ATOM 0 HB3 GLN A 84 26.091 -83.556 -10.130 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.505 -83.656 -10.654 1.00 43.51 H new ATOM 0 HG3 GLN A 84 28.041 -82.109 -9.972 1.00 43.51 H new ATOM 0 HE21 GLN A 84 28.758 -81.501 -7.884 1.00 5.13 H new ATOM 0 HE22 GLN A 84 30.073 -82.362 -7.078 1.00 5.13 H new ATOM 1250 N VAL A 85 24.188 -84.437 -7.626 1.00 33.13 N ATOM 1251 CA VAL A 85 22.750 -84.595 -7.435 1.00 22.34 C ATOM 1252 C VAL A 85 22.286 -83.698 -6.290 1.00 73.43 C ATOM 1253 O VAL A 85 21.198 -83.121 -6.331 1.00 53.31 O ATOM 1254 CB VAL A 85 22.370 -86.072 -7.138 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.874 -86.212 -6.857 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.788 -86.977 -8.298 1.00 25.24 C ATOM 0 H VAL A 85 24.731 -85.284 -7.456 1.00 33.13 H new ATOM 0 HA VAL A 85 22.251 -84.304 -8.360 1.00 22.34 H new ATOM 0 HB VAL A 85 22.908 -86.384 -6.243 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.638 -87.256 -6.653 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.608 -85.604 -5.992 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.308 -85.875 -7.725 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.514 -88.008 -8.072 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.282 -86.658 -9.209 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.867 -86.911 -8.440 1.00 25.24 H new ATOM 1266 N ASP A 86 23.140 -83.574 -5.279 1.00 15.30 N ATOM 1267 CA ASP A 86 22.888 -82.689 -4.145 1.00 63.23 C ATOM 1268 C ASP A 86 22.841 -81.237 -4.620 1.00 64.31 C ATOM 1269 O ASP A 86 22.002 -80.449 -4.181 1.00 72.04 O ATOM 1270 CB ASP A 86 23.978 -82.875 -3.081 1.00 35.40 C ATOM 1271 CG ASP A 86 23.772 -82.006 -1.849 1.00 14.31 C ATOM 1272 OD1 ASP A 86 22.905 -82.341 -1.015 1.00 32.10 O ATOM 1273 OD2 ASP A 86 24.493 -80.994 -1.697 1.00 61.35 O ATOM 0 H ASP A 86 24.023 -84.081 -5.222 1.00 15.30 H new ATOM 0 HA ASP A 86 21.925 -82.941 -3.700 1.00 63.23 H new ATOM 0 HB2 ASP A 86 24.005 -83.922 -2.778 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.948 -82.645 -3.521 1.00 35.40 H new ATOM 1278 N ALA A 87 23.743 -80.893 -5.535 1.00 21.34 N ATOM 1279 CA ALA A 87 23.730 -79.578 -6.163 1.00 34.53 C ATOM 1280 C ALA A 87 22.399 -79.343 -6.876 1.00 20.20 C ATOM 1281 O ALA A 87 21.784 -78.282 -6.745 1.00 62.15 O ATOM 1282 CB ALA A 87 24.886 -79.455 -7.147 1.00 10.13 C ATOM 0 H ALA A 87 24.491 -81.507 -5.857 1.00 21.34 H new ATOM 0 HA ALA A 87 23.847 -78.820 -5.389 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.866 -78.468 -7.610 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.830 -79.589 -6.618 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.791 -80.220 -7.918 1.00 10.13 H new ATOM 1288 N PHE A 88 21.957 -80.360 -7.611 1.00 23.24 N ATOM 1289 CA PHE A 88 20.726 -80.276 -8.389 1.00 53.22 C ATOM 1290 C PHE A 88 19.499 -80.127 -7.484 1.00 41.43 C ATOM 1291 O PHE A 88 18.602 -79.333 -7.774 1.00 24.23 O ATOM 1292 CB PHE A 88 20.577 -81.520 -9.277 1.00 13.44 C ATOM 1293 CG PHE A 88 19.584 -81.346 -10.400 1.00 60.45 C ATOM 1294 CD1 PHE A 88 19.979 -80.750 -11.589 1.00 2.04 C ATOM 1295 CD2 PHE A 88 18.268 -81.774 -10.274 1.00 41.43 C ATOM 1296 CE1 PHE A 88 19.086 -80.583 -12.629 1.00 65.45 C ATOM 1297 CE2 PHE A 88 17.370 -81.610 -11.313 1.00 43.45 C ATOM 1298 CZ PHE A 88 17.780 -81.014 -12.493 1.00 72.11 C ATOM 0 H PHE A 88 22.437 -81.257 -7.684 1.00 23.24 H new ATOM 0 HA PHE A 88 20.788 -79.388 -9.018 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.549 -81.773 -9.699 1.00 13.44 H new ATOM 0 HB3 PHE A 88 20.269 -82.363 -8.658 1.00 13.44 H new ATOM 0 HD1 PHE A 88 20.998 -80.412 -11.703 1.00 2.04 H new ATOM 0 HD2 PHE A 88 17.943 -82.240 -9.355 1.00 41.43 H new ATOM 0 HE1 PHE A 88 19.408 -80.116 -13.548 1.00 65.45 H new ATOM 0 HE2 PHE A 88 16.350 -81.947 -11.204 1.00 43.45 H new ATOM 0 HZ PHE A 88 17.081 -80.886 -13.306 1.00 72.11 H new ATOM 1308 N VAL A 89 19.453 -80.887 -6.390 1.00 5.13 N ATOM 1309 CA VAL A 89 18.308 -80.823 -5.479 1.00 63.22 C ATOM 1310 C VAL A 89 18.268 -79.474 -4.755 1.00 22.42 C ATOM 1311 O VAL A 89 17.195 -78.888 -4.579 1.00 63.11 O ATOM 1312 CB VAL A 89 18.290 -81.996 -4.453 1.00 62.24 C ATOM 1313 CG1 VAL A 89 19.441 -81.897 -3.456 1.00 41.30 C ATOM 1314 CG2 VAL A 89 16.941 -82.061 -3.732 1.00 71.34 C ATOM 0 H VAL A 89 20.182 -81.545 -6.115 1.00 5.13 H new ATOM 0 HA VAL A 89 17.412 -80.925 -6.092 1.00 63.22 H new ATOM 0 HB VAL A 89 18.428 -82.923 -5.010 1.00 62.24 H new ATOM 0 HG11 VAL A 89 19.391 -82.733 -2.759 1.00 41.30 H new ATOM 0 HG12 VAL A 89 20.390 -81.927 -3.992 1.00 41.30 H new ATOM 0 HG13 VAL A 89 19.365 -80.960 -2.904 1.00 41.30 H new ATOM 0 HG21 VAL A 89 16.948 -82.886 -3.020 1.00 71.34 H new ATOM 0 HG22 VAL A 89 16.767 -81.125 -3.201 1.00 71.34 H new ATOM 0 HG23 VAL A 89 16.146 -82.218 -4.461 1.00 71.34 H new ATOM 1324 N LYS A 90 19.437 -78.963 -4.361 1.00 72.24 N ATOM 1325 CA LYS A 90 19.516 -77.622 -3.780 1.00 63.21 C ATOM 1326 C LYS A 90 19.022 -76.592 -4.795 1.00 31.12 C ATOM 1327 O LYS A 90 18.338 -75.632 -4.438 1.00 14.12 O ATOM 1328 CB LYS A 90 20.949 -77.293 -3.323 1.00 12.24 C ATOM 1329 CG LYS A 90 21.255 -77.684 -1.874 1.00 73.32 C ATOM 1330 CD LYS A 90 20.986 -79.161 -1.599 1.00 40.24 C ATOM 1331 CE LYS A 90 21.357 -79.548 -0.172 1.00 1.53 C ATOM 1332 NZ LYS A 90 20.580 -78.782 0.839 1.00 60.33 N ATOM 0 H LYS A 90 20.330 -79.450 -4.432 1.00 72.24 H new ATOM 0 HA LYS A 90 18.877 -77.589 -2.898 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.653 -77.802 -3.981 1.00 12.24 H new ATOM 0 HB3 LYS A 90 21.119 -76.223 -3.442 1.00 12.24 H new ATOM 0 HG2 LYS A 90 22.299 -77.461 -1.653 1.00 73.32 H new ATOM 0 HG3 LYS A 90 20.650 -77.076 -1.201 1.00 73.32 H new ATOM 0 HD2 LYS A 90 19.932 -79.377 -1.772 1.00 40.24 H new ATOM 0 HD3 LYS A 90 21.555 -79.771 -2.301 1.00 40.24 H new ATOM 0 HE2 LYS A 90 21.183 -80.615 -0.030 1.00 1.53 H new ATOM 0 HE3 LYS A 90 22.422 -79.376 -0.016 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 20.738 -79.192 1.782 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 20.890 -77.789 0.836 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 19.567 -78.829 0.607 1.00 60.33 H new ATOM 1346 N TYR A 91 19.365 -76.816 -6.062 1.00 10.11 N ATOM 1347 CA TYR A 91 18.860 -75.997 -7.162 1.00 12.44 C ATOM 1348 C TYR A 91 17.333 -76.052 -7.213 1.00 44.40 C ATOM 1349 O TYR A 91 16.664 -75.031 -7.385 1.00 2.03 O ATOM 1350 CB TYR A 91 19.466 -76.477 -8.493 1.00 54.24 C ATOM 1351 CG TYR A 91 18.663 -76.094 -9.724 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.652 -74.786 -10.201 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.906 -77.046 -10.404 1.00 52.30 C ATOM 1354 CE1 TYR A 91 17.911 -74.441 -11.315 1.00 23.41 C ATOM 1355 CE2 TYR A 91 17.168 -76.707 -11.519 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.172 -75.404 -11.970 1.00 4.44 C ATOM 1357 OH TYR A 91 16.429 -75.065 -13.078 1.00 53.33 O ATOM 0 H TYR A 91 19.995 -77.563 -6.353 1.00 10.11 H new ATOM 0 HA TYR A 91 19.156 -74.961 -6.996 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.472 -76.068 -8.589 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.565 -77.562 -8.462 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.231 -74.030 -9.693 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.897 -78.067 -10.052 1.00 52.30 H new ATOM 0 HE1 TYR A 91 17.910 -73.422 -11.671 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.590 -77.458 -12.036 1.00 24.51 H new ATOM 0 HH TYR A 91 15.907 -74.258 -12.887 1.00 53.33 H new ATOM 1367 N LEU A 92 16.790 -77.249 -7.050 1.00 51.34 N ATOM 1368 CA LEU A 92 15.344 -77.445 -7.074 1.00 60.14 C ATOM 1369 C LEU A 92 14.692 -76.722 -5.893 1.00 5.34 C ATOM 1370 O LEU A 92 13.577 -76.211 -6.000 1.00 21.55 O ATOM 1371 CB LEU A 92 15.007 -78.949 -7.046 1.00 42.10 C ATOM 1372 CG LEU A 92 14.114 -79.445 -8.195 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.762 -78.736 -8.181 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.817 -79.264 -9.543 1.00 4.50 C ATOM 0 H LEU A 92 17.328 -78.102 -6.899 1.00 51.34 H new ATOM 0 HA LEU A 92 14.948 -77.022 -7.997 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.939 -79.514 -7.063 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.514 -79.176 -6.101 1.00 42.10 H new ATOM 0 HG LEU A 92 13.932 -80.510 -8.049 1.00 14.12 H new ATOM 0 HD11 LEU A 92 12.149 -79.105 -9.004 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.257 -78.934 -7.235 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.913 -77.662 -8.294 1.00 1.11 H new ATOM 0 HD21 LEU A 92 14.168 -79.621 -10.343 1.00 4.50 H new ATOM 0 HD22 LEU A 92 15.038 -78.208 -9.699 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.746 -79.834 -9.548 1.00 4.50 H new ATOM 1386 N HIS A 93 15.410 -76.673 -4.770 1.00 5.42 N ATOM 1387 CA HIS A 93 14.918 -76.009 -3.560 1.00 23.34 C ATOM 1388 C HIS A 93 15.031 -74.485 -3.667 1.00 11.23 C ATOM 1389 O HIS A 93 14.542 -73.759 -2.796 1.00 14.15 O ATOM 1390 CB HIS A 93 15.671 -76.513 -2.317 1.00 35.40 C ATOM 1391 CG HIS A 93 15.241 -77.877 -1.857 1.00 30.45 C ATOM 1392 ND1 HIS A 93 15.121 -79.047 -2.528 1.00 2.31 N flip ATOM 1393 CD2 HIS A 93 14.882 -78.149 -0.556 1.00 73.34 C flip ATOM 1394 CE1 HIS A 93 14.697 -79.994 -1.626 1.00 65.23 C flip ATOM 1395 NE2 HIS A 93 14.561 -79.423 -0.445 1.00 2.30 N flip ATOM 0 H HIS A 93 16.337 -77.086 -4.672 1.00 5.42 H new ATOM 0 HA HIS A 93 13.862 -76.260 -3.457 1.00 23.34 H new ATOM 0 HB2 HIS A 93 16.739 -76.533 -2.535 1.00 35.40 H new ATOM 0 HB3 HIS A 93 15.525 -75.803 -1.503 1.00 35.40 H new ATOM 0 HD1 HIS A 93 15.310 -79.198 -3.519 1.00 2.31 H new ATOM 0 HD2 HIS A 93 14.866 -77.430 0.249 1.00 73.34 H new ATOM 0 HE1 HIS A 93 14.507 -81.034 -1.848 1.00 65.23 H new ATOM 1404 N LYS A 94 15.685 -74.006 -4.726 1.00 64.43 N ATOM 1405 CA LYS A 94 15.763 -72.568 -4.991 1.00 13.01 C ATOM 1406 C LYS A 94 14.387 -72.038 -5.374 1.00 4.10 C ATOM 1407 O LYS A 94 13.946 -70.996 -4.877 1.00 53.20 O ATOM 1408 CB LYS A 94 16.762 -72.262 -6.123 1.00 13.44 C ATOM 1409 CG LYS A 94 18.219 -72.561 -5.788 1.00 34.11 C ATOM 1410 CD LYS A 94 18.739 -71.678 -4.656 1.00 31.12 C ATOM 1411 CE LYS A 94 20.243 -71.840 -4.457 1.00 75.41 C ATOM 1412 NZ LYS A 94 21.011 -71.471 -5.681 1.00 1.31 N ATOM 0 H LYS A 94 16.166 -74.589 -5.411 1.00 64.43 H new ATOM 0 HA LYS A 94 16.111 -72.077 -4.082 1.00 13.01 H new ATOM 0 HB2 LYS A 94 16.480 -72.840 -7.003 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.674 -71.209 -6.391 1.00 13.44 H new ATOM 0 HG2 LYS A 94 18.318 -73.609 -5.505 1.00 34.11 H new ATOM 0 HG3 LYS A 94 18.833 -72.411 -6.676 1.00 34.11 H new ATOM 0 HD2 LYS A 94 18.512 -70.635 -4.875 1.00 31.12 H new ATOM 0 HD3 LYS A 94 18.221 -71.930 -3.731 1.00 31.12 H new ATOM 0 HE2 LYS A 94 20.568 -71.217 -3.624 1.00 75.41 H new ATOM 0 HE3 LYS A 94 20.464 -72.873 -4.188 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 22.005 -71.299 -5.428 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 20.959 -72.247 -6.371 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 20.606 -70.609 -6.099 1.00 1.31 H new ATOM 1426 N GLY A 95 13.708 -72.774 -6.249 1.00 31.54 N ATOM 1427 CA GLY A 95 12.409 -72.353 -6.741 1.00 21.24 C ATOM 1428 C GLY A 95 12.527 -71.325 -7.853 1.00 10.52 C ATOM 1429 O GLY A 95 13.469 -70.528 -7.876 1.00 3.03 O ATOM 0 H GLY A 95 14.038 -73.661 -6.628 1.00 31.54 H new ATOM 0 HA2 GLY A 95 11.861 -73.221 -7.107 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.829 -71.933 -5.919 1.00 21.24 H new ATOM 1433 N SER A 96 11.575 -71.337 -8.780 1.00 75.45 N ATOM 1434 CA SER A 96 11.574 -70.384 -9.879 1.00 64.44 C ATOM 1435 C SER A 96 11.045 -69.030 -9.400 1.00 73.22 C ATOM 1436 O SER A 96 9.960 -68.955 -8.827 1.00 41.20 O ATOM 1437 CB SER A 96 10.730 -70.919 -11.042 1.00 73.31 C ATOM 1438 OG SER A 96 11.227 -72.167 -11.496 1.00 75.44 O ATOM 0 H SER A 96 10.796 -71.996 -8.791 1.00 75.45 H new ATOM 0 HA SER A 96 12.596 -70.248 -10.233 1.00 64.44 H new ATOM 0 HB2 SER A 96 9.694 -71.030 -10.723 1.00 73.31 H new ATOM 0 HB3 SER A 96 10.736 -70.201 -11.862 1.00 73.31 H new ATOM 0 HG SER A 96 12.188 -72.092 -11.673 1.00 75.44 H new ATOM 1444 N PRO A 97 11.808 -67.940 -9.622 1.00 15.32 N ATOM 1445 CA PRO A 97 11.428 -66.597 -9.156 1.00 63.34 C ATOM 1446 C PRO A 97 10.074 -66.144 -9.711 1.00 3.15 C ATOM 1447 O PRO A 97 9.342 -65.400 -9.057 1.00 13.01 O ATOM 1448 CB PRO A 97 12.565 -65.691 -9.669 1.00 53.52 C ATOM 1449 CG PRO A 97 13.249 -66.486 -10.735 1.00 13.42 C ATOM 1450 CD PRO A 97 13.099 -67.927 -10.334 1.00 51.42 C ATOM 0 HA PRO A 97 11.308 -66.566 -8.073 1.00 63.34 H new ATOM 0 HB2 PRO A 97 12.173 -64.755 -10.066 1.00 53.52 H new ATOM 0 HB3 PRO A 97 13.255 -65.433 -8.866 1.00 53.52 H new ATOM 0 HG2 PRO A 97 12.797 -66.303 -11.710 1.00 13.42 H new ATOM 0 HG3 PRO A 97 14.300 -66.210 -10.814 1.00 13.42 H new ATOM 0 HD2 PRO A 97 13.089 -68.588 -11.201 1.00 51.42 H new ATOM 0 HD3 PRO A 97 13.917 -68.255 -9.693 1.00 51.42 H new ATOM 1458 N LYS A 98 9.747 -66.597 -10.918 1.00 53.54 N ATOM 1459 CA LYS A 98 8.492 -66.210 -11.570 1.00 24.34 C ATOM 1460 C LYS A 98 7.395 -67.253 -11.327 1.00 74.31 C ATOM 1461 O LYS A 98 6.207 -66.926 -11.316 1.00 21.32 O ATOM 1462 CB LYS A 98 8.724 -66.018 -13.080 1.00 51.22 C ATOM 1463 CG LYS A 98 7.529 -65.431 -13.832 1.00 43.41 C ATOM 1464 CD LYS A 98 7.148 -64.049 -13.306 1.00 31.02 C ATOM 1465 CE LYS A 98 6.007 -63.432 -14.112 1.00 2.21 C ATOM 1466 NZ LYS A 98 4.784 -64.283 -14.096 1.00 75.23 N ATOM 0 H LYS A 98 10.329 -67.231 -11.466 1.00 53.54 H new ATOM 0 HA LYS A 98 8.157 -65.268 -11.136 1.00 24.34 H new ATOM 0 HB2 LYS A 98 9.585 -65.365 -13.223 1.00 51.22 H new ATOM 0 HB3 LYS A 98 8.978 -66.981 -13.522 1.00 51.22 H new ATOM 0 HG2 LYS A 98 7.766 -65.363 -14.894 1.00 43.41 H new ATOM 0 HG3 LYS A 98 6.676 -66.103 -13.739 1.00 43.41 H new ATOM 0 HD2 LYS A 98 6.854 -64.127 -12.259 1.00 31.02 H new ATOM 0 HD3 LYS A 98 8.017 -63.393 -13.345 1.00 31.02 H new ATOM 0 HE2 LYS A 98 5.769 -62.448 -13.707 1.00 2.21 H new ATOM 0 HE3 LYS A 98 6.331 -63.283 -15.142 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 3.992 -63.761 -14.523 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 4.959 -65.152 -14.640 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 4.546 -64.531 -13.114 1.00 75.23 H new ATOM 1480 N SER A 99 7.797 -68.498 -11.092 1.00 22.33 N ATOM 1481 CA SER A 99 6.852 -69.603 -10.941 1.00 33.13 C ATOM 1482 C SER A 99 6.837 -70.089 -9.488 1.00 51.15 C ATOM 1483 O SER A 99 7.775 -70.749 -9.033 1.00 65.20 O ATOM 1484 CB SER A 99 7.229 -70.747 -11.899 1.00 24.15 C ATOM 1485 OG SER A 99 6.257 -71.780 -11.898 1.00 42.35 O ATOM 0 H SER A 99 8.776 -68.770 -11.001 1.00 22.33 H new ATOM 0 HA SER A 99 5.850 -69.257 -11.194 1.00 33.13 H new ATOM 0 HB2 SER A 99 7.339 -70.353 -12.909 1.00 24.15 H new ATOM 0 HB3 SER A 99 8.196 -71.158 -11.610 1.00 24.15 H new ATOM 0 HG SER A 99 6.698 -72.644 -11.757 1.00 42.35 H new ATOM 1491 N VAL A 100 5.777 -69.733 -8.761 1.00 74.22 N ATOM 1492 CA VAL A 100 5.633 -70.103 -7.354 1.00 45.42 C ATOM 1493 C VAL A 100 5.427 -71.611 -7.205 1.00 51.00 C ATOM 1494 O VAL A 100 4.572 -72.197 -7.868 1.00 74.34 O ATOM 1495 CB VAL A 100 4.445 -69.356 -6.691 1.00 21.34 C ATOM 1496 CG1 VAL A 100 4.327 -69.723 -5.211 1.00 13.01 C ATOM 1497 CG2 VAL A 100 4.591 -67.843 -6.869 1.00 20.43 C ATOM 0 H VAL A 100 5.000 -69.184 -9.128 1.00 74.22 H new ATOM 0 HA VAL A 100 6.555 -69.813 -6.850 1.00 45.42 H new ATOM 0 HB VAL A 100 3.527 -69.669 -7.188 1.00 21.34 H new ATOM 0 HG11 VAL A 100 3.487 -69.187 -4.769 1.00 13.01 H new ATOM 0 HG12 VAL A 100 4.163 -70.796 -5.114 1.00 13.01 H new ATOM 0 HG13 VAL A 100 5.246 -69.448 -4.694 1.00 13.01 H new ATOM 0 HG21 VAL A 100 3.748 -67.338 -6.397 1.00 20.43 H new ATOM 0 HG22 VAL A 100 5.519 -67.510 -6.405 1.00 20.43 H new ATOM 0 HG23 VAL A 100 4.610 -67.602 -7.932 1.00 20.43 H new ATOM 1507 N VAL A 101 6.216 -72.226 -6.329 1.00 73.33 N ATOM 1508 CA VAL A 101 6.146 -73.663 -6.085 1.00 33.12 C ATOM 1509 C VAL A 101 5.343 -73.964 -4.816 1.00 14.21 C ATOM 1510 O VAL A 101 5.307 -73.157 -3.883 1.00 71.23 O ATOM 1511 CB VAL A 101 7.562 -74.287 -5.970 1.00 1.53 C ATOM 1512 CG1 VAL A 101 8.344 -74.096 -7.271 1.00 0.11 C ATOM 1513 CG2 VAL A 101 8.327 -73.694 -4.784 1.00 23.20 C ATOM 0 H VAL A 101 6.920 -71.744 -5.770 1.00 73.33 H new ATOM 0 HA VAL A 101 5.639 -74.112 -6.939 1.00 33.12 H new ATOM 0 HB VAL A 101 7.447 -75.357 -5.795 1.00 1.53 H new ATOM 0 HG11 VAL A 101 9.334 -74.541 -7.169 1.00 0.11 H new ATOM 0 HG12 VAL A 101 7.812 -74.580 -8.090 1.00 0.11 H new ATOM 0 HG13 VAL A 101 8.444 -73.031 -7.482 1.00 0.11 H new ATOM 0 HG21 VAL A 101 9.316 -74.148 -4.725 1.00 23.20 H new ATOM 0 HG22 VAL A 101 8.429 -72.617 -4.919 1.00 23.20 H new ATOM 0 HG23 VAL A 101 7.781 -73.894 -3.862 1.00 23.20 H new ATOM 1523 N LYS A 102 4.673 -75.115 -4.806 1.00 25.24 N ATOM 1524 CA LYS A 102 3.890 -75.556 -3.654 1.00 22.23 C ATOM 1525 C LYS A 102 4.693 -76.547 -2.815 1.00 52.51 C ATOM 1526 O LYS A 102 4.806 -76.402 -1.594 1.00 64.20 O ATOM 1527 CB LYS A 102 2.582 -76.215 -4.117 1.00 14.41 C ATOM 1528 CG LYS A 102 1.721 -75.324 -5.003 1.00 2.24 C ATOM 1529 CD LYS A 102 0.491 -76.064 -5.532 1.00 35.55 C ATOM 1530 CE LYS A 102 -0.443 -76.510 -4.410 1.00 34.44 C ATOM 1531 NZ LYS A 102 -1.632 -77.229 -4.937 1.00 11.03 N ATOM 0 H LYS A 102 4.658 -75.765 -5.592 1.00 25.24 H new ATOM 0 HA LYS A 102 3.653 -74.683 -3.046 1.00 22.23 H new ATOM 0 HB2 LYS A 102 2.820 -77.129 -4.660 1.00 14.41 H new ATOM 0 HB3 LYS A 102 2.004 -76.507 -3.240 1.00 14.41 H new ATOM 0 HG2 LYS A 102 1.403 -74.448 -4.437 1.00 2.24 H new ATOM 0 HG3 LYS A 102 2.316 -74.962 -5.842 1.00 2.24 H new ATOM 0 HD2 LYS A 102 -0.053 -75.415 -6.219 1.00 35.55 H new ATOM 0 HD3 LYS A 102 0.812 -76.935 -6.103 1.00 35.55 H new ATOM 0 HE2 LYS A 102 0.099 -77.159 -3.722 1.00 34.44 H new ATOM 0 HE3 LYS A 102 -0.767 -75.640 -3.839 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -2.243 -77.516 -4.146 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -2.163 -76.602 -5.574 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -1.323 -78.073 -5.460 1.00 11.03 H new ATOM 1545 N LYS A 103 5.239 -77.554 -3.486 1.00 12.03 N ATOM 1546 CA LYS A 103 5.998 -78.613 -2.828 1.00 72.44 C ATOM 1547 C LYS A 103 6.917 -79.303 -3.832 1.00 14.24 C ATOM 1548 O LYS A 103 6.522 -79.546 -4.977 1.00 53.50 O ATOM 1549 CB LYS A 103 5.038 -79.644 -2.204 1.00 61.22 C ATOM 1550 CG LYS A 103 5.719 -80.891 -1.632 1.00 3.35 C ATOM 1551 CD LYS A 103 6.649 -80.564 -0.462 1.00 22.31 C ATOM 1552 CE LYS A 103 7.374 -81.806 0.054 1.00 15.43 C ATOM 1553 NZ LYS A 103 6.430 -82.872 0.491 1.00 35.52 N ATOM 0 H LYS A 103 5.169 -77.660 -4.498 1.00 12.03 H new ATOM 0 HA LYS A 103 6.605 -78.169 -2.039 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.473 -79.158 -1.408 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.319 -79.955 -2.962 1.00 61.22 H new ATOM 0 HG2 LYS A 103 4.958 -81.597 -1.301 1.00 3.35 H new ATOM 0 HG3 LYS A 103 6.290 -81.383 -2.419 1.00 3.35 H new ATOM 0 HD2 LYS A 103 7.381 -79.821 -0.777 1.00 22.31 H new ATOM 0 HD3 LYS A 103 6.071 -80.118 0.348 1.00 22.31 H new ATOM 0 HE2 LYS A 103 8.022 -82.197 -0.730 1.00 15.43 H new ATOM 0 HE3 LYS A 103 8.016 -81.528 0.890 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 6.956 -83.620 0.986 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 5.720 -82.465 1.133 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 5.954 -83.276 -0.341 1.00 35.52 H new ATOM 1567 N VAL A 104 8.143 -79.593 -3.407 1.00 20.25 N ATOM 1568 CA VAL A 104 9.066 -80.395 -4.199 1.00 63.52 C ATOM 1569 C VAL A 104 9.093 -81.822 -3.651 1.00 23.40 C ATOM 1570 O VAL A 104 9.257 -82.033 -2.447 1.00 41.12 O ATOM 1571 CB VAL A 104 10.501 -79.794 -4.209 1.00 12.25 C ATOM 1572 CG1 VAL A 104 11.079 -79.699 -2.795 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.423 -80.602 -5.125 1.00 13.11 C ATOM 0 H VAL A 104 8.521 -79.282 -2.512 1.00 20.25 H new ATOM 0 HA VAL A 104 8.713 -80.399 -5.230 1.00 63.52 H new ATOM 0 HB VAL A 104 10.432 -78.780 -4.604 1.00 12.25 H new ATOM 0 HG11 VAL A 104 12.082 -79.275 -2.840 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.442 -79.060 -2.184 1.00 24.45 H new ATOM 0 HG13 VAL A 104 11.125 -80.694 -2.353 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.421 -80.163 -5.116 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.476 -81.632 -4.771 1.00 13.11 H new ATOM 0 HG23 VAL A 104 11.030 -80.588 -6.141 1.00 13.11 H new ATOM 1583 N SER A 105 8.921 -82.792 -4.534 1.00 70.15 N ATOM 1584 CA SER A 105 8.822 -84.191 -4.147 1.00 14.10 C ATOM 1585 C SER A 105 9.927 -84.987 -4.826 1.00 74.04 C ATOM 1586 O SER A 105 10.182 -84.807 -6.019 1.00 24.02 O ATOM 1587 CB SER A 105 7.447 -84.744 -4.540 1.00 4.52 C ATOM 1588 OG SER A 105 6.405 -83.938 -4.013 1.00 72.03 O ATOM 0 H SER A 105 8.846 -82.633 -5.539 1.00 70.15 H new ATOM 0 HA SER A 105 8.936 -84.278 -3.067 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.365 -84.786 -5.626 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.343 -85.765 -4.173 1.00 4.52 H new ATOM 0 HG SER A 105 5.538 -84.310 -4.278 1.00 72.03 H new ATOM 1594 N ILE A 106 10.593 -85.849 -4.068 1.00 60.24 N ATOM 1595 CA ILE A 106 11.702 -86.635 -4.596 1.00 10.30 C ATOM 1596 C ILE A 106 11.406 -88.126 -4.444 1.00 61.14 C ATOM 1597 O ILE A 106 10.573 -88.517 -3.623 1.00 52.41 O ATOM 1598 CB ILE A 106 13.039 -86.307 -3.872 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.128 -84.811 -3.502 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.216 -86.697 -4.761 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.181 -83.874 -4.692 1.00 61.02 C ATOM 0 H ILE A 106 10.385 -86.022 -3.085 1.00 60.24 H new ATOM 0 HA ILE A 106 11.810 -86.378 -5.650 1.00 10.30 H new ATOM 0 HB ILE A 106 13.074 -86.882 -2.947 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.267 -84.549 -2.887 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.016 -84.653 -2.890 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.150 -86.465 -4.250 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.173 -87.765 -4.973 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.166 -86.139 -5.696 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.242 -82.844 -4.341 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.058 -84.104 -5.298 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.281 -83.999 -5.294 1.00 61.02 H new ATOM 1613 N HIS A 107 12.072 -88.952 -5.244 1.00 62.33 N ATOM 1614 CA HIS A 107 11.917 -90.402 -5.159 1.00 42.21 C ATOM 1615 C HIS A 107 13.266 -91.104 -5.330 1.00 3.14 C ATOM 1616 O HIS A 107 14.172 -90.591 -5.988 1.00 44.31 O ATOM 1617 CB HIS A 107 10.907 -90.912 -6.195 1.00 1.15 C ATOM 1618 CG HIS A 107 9.479 -90.584 -5.875 1.00 52.33 C ATOM 1619 ND1 HIS A 107 8.715 -91.324 -5.002 1.00 63.51 N ATOM 1620 CD2 HIS A 107 8.673 -89.591 -6.324 1.00 51.43 C ATOM 1621 CE1 HIS A 107 7.504 -90.807 -4.930 1.00 61.40 C ATOM 1622 NE2 HIS A 107 7.451 -89.752 -5.721 1.00 21.31 N ATOM 0 H HIS A 107 12.727 -88.642 -5.962 1.00 62.33 H new ATOM 0 HA HIS A 107 11.531 -90.638 -4.168 1.00 42.21 H new ATOM 0 HB2 HIS A 107 11.156 -90.488 -7.168 1.00 1.15 H new ATOM 0 HB3 HIS A 107 11.009 -91.994 -6.283 1.00 1.15 H new ATOM 0 HD2 HIS A 107 8.943 -88.816 -7.026 1.00 51.43 H new ATOM 0 HE1 HIS A 107 6.692 -91.184 -4.325 1.00 61.40 H new ATOM 0 HE2 HIS A 107 6.636 -89.155 -5.861 1.00 21.31 H new ATOM 1631 N ALA A 108 13.344 -92.303 -4.766 1.00 62.21 N ATOM 1632 CA ALA A 108 14.592 -93.056 -4.590 1.00 71.54 C ATOM 1633 C ALA A 108 15.000 -93.866 -5.829 1.00 51.20 C ATOM 1634 O ALA A 108 15.969 -94.628 -5.773 1.00 13.21 O ATOM 1635 CB ALA A 108 14.469 -93.968 -3.376 1.00 1.01 C ATOM 0 H ALA A 108 12.525 -92.795 -4.408 1.00 62.21 H new ATOM 0 HA ALA A 108 15.385 -92.325 -4.435 1.00 71.54 H new ATOM 0 HB1 ALA A 108 15.396 -94.527 -3.245 1.00 1.01 H new ATOM 0 HB2 ALA A 108 14.280 -93.367 -2.487 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.644 -94.664 -3.526 1.00 1.01 H new ATOM 1641 N SER A 109 14.276 -93.708 -6.934 1.00 22.12 N ATOM 1642 CA SER A 109 14.405 -94.611 -8.082 1.00 13.31 C ATOM 1643 C SER A 109 15.830 -94.617 -8.649 1.00 70.35 C ATOM 1644 O SER A 109 16.446 -93.569 -8.832 1.00 20.01 O ATOM 1645 CB SER A 109 13.428 -94.178 -9.181 1.00 75.32 C ATOM 1646 OG SER A 109 12.084 -94.261 -8.728 1.00 74.32 O ATOM 0 H SER A 109 13.592 -92.963 -7.062 1.00 22.12 H new ATOM 0 HA SER A 109 14.175 -95.620 -7.739 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.650 -93.156 -9.488 1.00 75.32 H new ATOM 0 HB3 SER A 109 13.559 -94.810 -10.059 1.00 75.32 H new ATOM 0 HG SER A 109 11.479 -93.978 -9.445 1.00 74.32 H new ATOM 1652 N SER A 110 16.328 -95.830 -8.914 1.00 53.15 N ATOM 1653 CA SER A 110 17.706 -96.056 -9.346 1.00 44.34 C ATOM 1654 C SER A 110 17.946 -95.584 -10.787 1.00 21.33 C ATOM 1655 O SER A 110 17.021 -95.125 -11.461 1.00 40.12 O ATOM 1656 CB SER A 110 18.030 -97.551 -9.219 1.00 20.12 C ATOM 1657 OG SER A 110 17.698 -98.035 -7.925 1.00 61.20 O ATOM 0 H SER A 110 15.780 -96.686 -8.833 1.00 53.15 H new ATOM 0 HA SER A 110 18.364 -95.470 -8.705 1.00 44.34 H new ATOM 0 HB2 SER A 110 17.479 -98.112 -9.974 1.00 20.12 H new ATOM 0 HB3 SER A 110 19.090 -97.715 -9.412 1.00 20.12 H new ATOM 0 HG SER A 110 17.911 -98.990 -7.868 1.00 61.20 H new ATOM 1663 N ARG A 111 19.200 -95.724 -11.241 1.00 10.21 N ATOM 1664 CA ARG A 111 19.643 -95.236 -12.553 1.00 70.34 C ATOM 1665 C ARG A 111 18.679 -95.616 -13.680 1.00 33.55 C ATOM 1666 O ARG A 111 18.163 -96.737 -13.734 1.00 43.23 O ATOM 1667 CB ARG A 111 21.052 -95.771 -12.872 1.00 25.13 C ATOM 1668 CG ARG A 111 21.514 -95.486 -14.304 1.00 15.51 C ATOM 1669 CD ARG A 111 22.911 -96.038 -14.590 1.00 32.52 C ATOM 1670 NE ARG A 111 23.978 -95.207 -14.013 1.00 21.10 N ATOM 1671 CZ ARG A 111 25.275 -95.534 -14.038 1.00 63.31 C ATOM 1672 NH1 ARG A 111 25.667 -96.698 -14.545 1.00 42.52 N ATOM 1673 NH2 ARG A 111 26.181 -94.692 -13.551 1.00 12.12 N ATOM 0 H ARG A 111 19.938 -96.181 -10.705 1.00 10.21 H new ATOM 0 HA ARG A 111 19.663 -94.148 -12.495 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.764 -95.328 -12.176 1.00 25.13 H new ATOM 0 HB3 ARG A 111 21.068 -96.848 -12.703 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.804 -95.924 -15.005 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.510 -94.410 -14.476 1.00 15.51 H new ATOM 0 HD2 ARG A 111 22.987 -97.049 -14.190 1.00 32.52 H new ATOM 0 HD3 ARG A 111 23.055 -96.110 -15.668 1.00 32.52 H new ATOM 0 HE ARG A 111 23.713 -94.329 -13.567 1.00 21.10 H new ATOM 0 HH11 ARG A 111 24.977 -97.350 -14.919 1.00 42.52 H new ATOM 0 HH12 ARG A 111 26.658 -96.940 -14.560 1.00 42.52 H new ATOM 0 HH21 ARG A 111 25.887 -93.798 -13.159 1.00 12.12 H new ATOM 0 HH22 ARG A 111 27.170 -94.940 -13.570 1.00 12.12 H new ATOM 1687 N VAL A 112 18.460 -94.658 -14.575 1.00 42.33 N ATOM 1688 CA VAL A 112 17.609 -94.822 -15.749 1.00 22.53 C ATOM 1689 C VAL A 112 18.374 -94.368 -16.996 1.00 21.24 C ATOM 1690 O VAL A 112 19.520 -93.923 -16.892 1.00 51.15 O ATOM 1691 CB VAL A 112 16.300 -94.001 -15.614 1.00 42.34 C ATOM 1692 CG1 VAL A 112 15.437 -94.532 -14.469 1.00 12.25 C ATOM 1693 CG2 VAL A 112 16.618 -92.522 -15.408 1.00 12.43 C ATOM 0 H VAL A 112 18.876 -93.729 -14.504 1.00 42.33 H new ATOM 0 HA VAL A 112 17.341 -95.875 -15.836 1.00 22.53 H new ATOM 0 HB VAL A 112 15.734 -94.108 -16.539 1.00 42.34 H new ATOM 0 HG11 VAL A 112 14.525 -93.939 -14.395 1.00 12.25 H new ATOM 0 HG12 VAL A 112 15.178 -95.573 -14.661 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.991 -94.462 -13.533 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.689 -91.960 -15.315 1.00 12.43 H new ATOM 0 HG22 VAL A 112 17.208 -92.400 -14.500 1.00 12.43 H new ATOM 0 HG23 VAL A 112 17.184 -92.149 -16.262 1.00 12.43 H new ATOM 1703 N ASP A 113 17.778 -94.520 -18.171 1.00 71.41 N ATOM 1704 CA ASP A 113 18.397 -94.028 -19.402 1.00 61.45 C ATOM 1705 C ASP A 113 18.027 -92.563 -19.624 1.00 54.52 C ATOM 1706 O ASP A 113 16.843 -92.224 -19.709 1.00 71.24 O ATOM 1707 CB ASP A 113 17.963 -94.871 -20.607 1.00 13.55 C ATOM 1708 CG ASP A 113 18.699 -94.479 -21.882 1.00 74.32 C ATOM 1709 OD1 ASP A 113 19.918 -94.752 -21.978 1.00 41.05 O ATOM 1710 OD2 ASP A 113 18.066 -93.921 -22.804 1.00 52.52 O ATOM 0 H ASP A 113 16.875 -94.975 -18.301 1.00 71.41 H new ATOM 0 HA ASP A 113 19.479 -94.111 -19.299 1.00 61.45 H new ATOM 0 HB2 ASP A 113 18.144 -95.925 -20.395 1.00 13.55 H new ATOM 0 HB3 ASP A 113 16.890 -94.757 -20.760 1.00 13.55 H new ATOM 1715 N ALA A 114 19.038 -91.698 -19.694 1.00 61.52 N ATOM 1716 CA ALA A 114 18.819 -90.265 -19.879 1.00 14.04 C ATOM 1717 C ALA A 114 18.061 -89.986 -21.176 1.00 42.21 C ATOM 1718 O ALA A 114 18.304 -90.623 -22.202 1.00 32.43 O ATOM 1719 CB ALA A 114 20.142 -89.513 -19.864 1.00 51.25 C ATOM 0 H ALA A 114 20.020 -91.966 -19.625 1.00 61.52 H new ATOM 0 HA ALA A 114 18.209 -89.911 -19.048 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.957 -88.448 -20.003 1.00 51.25 H new ATOM 0 HB2 ALA A 114 20.640 -89.673 -18.908 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.778 -89.879 -20.670 1.00 51.25 H new ATOM 1725 N ASP A 115 17.151 -89.020 -21.123 1.00 54.31 N ATOM 1726 CA ASP A 115 16.281 -88.706 -22.257 1.00 31.20 C ATOM 1727 C ASP A 115 16.398 -87.236 -22.659 1.00 74.33 C ATOM 1728 O ASP A 115 16.519 -86.922 -23.846 1.00 33.11 O ATOM 1729 CB ASP A 115 14.826 -89.054 -21.913 1.00 63.02 C ATOM 1730 CG ASP A 115 13.828 -88.481 -22.909 1.00 34.15 C ATOM 1731 OD1 ASP A 115 13.652 -89.069 -24.000 1.00 71.54 O ATOM 1732 OD2 ASP A 115 13.204 -87.447 -22.598 1.00 60.54 O ATOM 0 H ASP A 115 16.994 -88.435 -20.302 1.00 54.31 H new ATOM 0 HA ASP A 115 16.601 -89.308 -23.108 1.00 31.20 H new ATOM 0 HB2 ASP A 115 14.715 -90.138 -21.878 1.00 63.02 H new ATOM 0 HB3 ASP A 115 14.594 -88.678 -20.917 1.00 63.02 H new ATOM 1737 N GLY A 116 16.372 -86.338 -21.677 1.00 25.12 N ATOM 1738 CA GLY A 116 16.434 -84.913 -21.970 1.00 51.02 C ATOM 1739 C GLY A 116 15.618 -84.071 -21.002 1.00 52.42 C ATOM 1740 O GLY A 116 14.506 -84.447 -20.611 1.00 24.24 O ATOM 0 H GLY A 116 16.309 -86.569 -20.686 1.00 25.12 H new ATOM 0 HA2 GLY A 116 17.473 -84.586 -21.940 1.00 51.02 H new ATOM 0 HA3 GLY A 116 16.075 -84.740 -22.985 1.00 51.02 H new ATOM 1744 N PHE A 117 16.167 -82.930 -20.605 1.00 5.24 N ATOM 1745 CA PHE A 117 15.477 -82.029 -19.690 1.00 2.31 C ATOM 1746 C PHE A 117 14.697 -80.985 -20.485 1.00 32.41 C ATOM 1747 O PHE A 117 15.300 -80.130 -21.139 1.00 0.02 O ATOM 1748 CB PHE A 117 16.494 -81.320 -18.771 1.00 64.33 C ATOM 1749 CG PHE A 117 17.352 -82.251 -17.942 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.332 -83.036 -18.536 1.00 52.42 C ATOM 1751 CD2 PHE A 117 17.182 -82.335 -16.566 1.00 54.12 C ATOM 1752 CE1 PHE A 117 19.118 -83.882 -17.778 1.00 24.34 C ATOM 1753 CE2 PHE A 117 17.968 -83.181 -15.804 1.00 3.23 C ATOM 1754 CZ PHE A 117 18.936 -83.954 -16.411 1.00 43.44 C ATOM 0 H PHE A 117 17.088 -82.606 -20.902 1.00 5.24 H new ATOM 0 HA PHE A 117 14.789 -82.611 -19.077 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.145 -80.697 -19.384 1.00 64.33 H new ATOM 0 HB3 PHE A 117 15.953 -80.652 -18.100 1.00 64.33 H new ATOM 0 HD1 PHE A 117 18.481 -82.984 -19.604 1.00 52.42 H new ATOM 0 HD2 PHE A 117 16.426 -81.732 -16.085 1.00 54.12 H new ATOM 0 HE1 PHE A 117 19.875 -84.487 -18.255 1.00 24.34 H new ATOM 0 HE2 PHE A 117 17.824 -83.236 -14.735 1.00 3.23 H new ATOM 0 HZ PHE A 117 19.551 -84.615 -15.818 1.00 43.44 H new ATOM 1764 N GLU A 118 13.363 -81.037 -20.435 1.00 33.04 N ATOM 1765 CA GLU A 118 12.554 -80.018 -21.096 1.00 23.02 C ATOM 1766 C GLU A 118 11.134 -80.025 -20.565 1.00 63.02 C ATOM 1767 O GLU A 118 10.571 -81.072 -20.272 1.00 13.12 O ATOM 1768 CB GLU A 118 12.546 -80.209 -22.620 1.00 70.42 C ATOM 1769 CG GLU A 118 11.861 -81.486 -23.098 1.00 51.04 C ATOM 1770 CD GLU A 118 11.710 -81.539 -24.610 1.00 53.34 C ATOM 1771 OE1 GLU A 118 11.556 -80.466 -25.236 1.00 62.15 O ATOM 1772 OE2 GLU A 118 11.719 -82.647 -25.181 1.00 71.34 O ATOM 0 H GLU A 118 12.831 -81.761 -19.952 1.00 33.04 H new ATOM 0 HA GLU A 118 13.007 -79.051 -20.875 1.00 23.02 H new ATOM 0 HB2 GLU A 118 12.049 -79.353 -23.077 1.00 70.42 H new ATOM 0 HB3 GLU A 118 13.575 -80.209 -22.978 1.00 70.42 H new ATOM 0 HG2 GLU A 118 12.436 -82.349 -22.764 1.00 51.04 H new ATOM 0 HG3 GLU A 118 10.877 -81.561 -22.636 1.00 51.04 H new ATOM 1779 N ILE A 119 10.552 -78.851 -20.441 1.00 14.51 N ATOM 1780 CA ILE A 119 9.200 -78.743 -19.938 1.00 51.30 C ATOM 1781 C ILE A 119 8.231 -79.176 -21.037 1.00 62.21 C ATOM 1782 O ILE A 119 7.767 -78.373 -21.852 1.00 44.42 O ATOM 1783 CB ILE A 119 8.895 -77.309 -19.420 1.00 2.53 C ATOM 1784 CG1 ILE A 119 9.693 -77.010 -18.129 1.00 24.02 C ATOM 1785 CG2 ILE A 119 7.401 -77.133 -19.156 1.00 53.12 C ATOM 1786 CD1 ILE A 119 11.200 -77.167 -18.250 1.00 71.13 C ATOM 0 H ILE A 119 10.992 -77.962 -20.680 1.00 14.51 H new ATOM 0 HA ILE A 119 9.078 -79.403 -19.079 1.00 51.30 H new ATOM 0 HB ILE A 119 9.200 -76.605 -20.194 1.00 2.53 H new ATOM 0 HG12 ILE A 119 9.474 -75.990 -17.813 1.00 24.02 H new ATOM 0 HG13 ILE A 119 9.337 -77.671 -17.339 1.00 24.02 H new ATOM 0 HG21 ILE A 119 7.212 -76.122 -18.794 1.00 53.12 H new ATOM 0 HG22 ILE A 119 6.846 -77.298 -20.080 1.00 53.12 H new ATOM 0 HG23 ILE A 119 7.077 -77.853 -18.405 1.00 53.12 H new ATOM 0 HD11 ILE A 119 11.668 -76.935 -17.293 1.00 71.13 H new ATOM 0 HD12 ILE A 119 11.438 -78.193 -18.531 1.00 71.13 H new ATOM 0 HD13 ILE A 119 11.577 -76.485 -19.013 1.00 71.13 H new ATOM 1798 N ARG A 120 8.003 -80.484 -21.082 1.00 2.03 N ATOM 1799 CA ARG A 120 7.119 -81.101 -22.058 1.00 61.44 C ATOM 1800 C ARG A 120 5.664 -80.790 -21.740 1.00 32.31 C ATOM 1801 O ARG A 120 5.242 -80.857 -20.584 1.00 1.25 O ATOM 1802 CB ARG A 120 7.349 -82.620 -22.082 1.00 4.12 C ATOM 1803 CG ARG A 120 8.450 -83.072 -23.033 1.00 2.23 C ATOM 1804 CD ARG A 120 8.702 -84.572 -22.914 1.00 30.01 C ATOM 1805 NE ARG A 120 9.688 -85.056 -23.884 1.00 3.51 N ATOM 1806 CZ ARG A 120 10.867 -85.589 -23.557 1.00 12.41 C ATOM 1807 NH1 ARG A 120 11.270 -85.605 -22.292 1.00 3.32 N ATOM 1808 NH2 ARG A 120 11.653 -86.093 -24.498 1.00 2.32 N ATOM 0 H ARG A 120 8.430 -81.148 -20.437 1.00 2.03 H new ATOM 0 HA ARG A 120 7.345 -80.691 -23.042 1.00 61.44 H new ATOM 0 HB2 ARG A 120 7.595 -82.954 -21.074 1.00 4.12 H new ATOM 0 HB3 ARG A 120 6.418 -83.112 -22.362 1.00 4.12 H new ATOM 0 HG2 ARG A 120 8.171 -82.828 -24.058 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.369 -82.528 -22.814 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.048 -84.800 -21.906 1.00 30.01 H new ATOM 0 HD3 ARG A 120 7.763 -85.107 -23.058 1.00 30.01 H new ATOM 0 HE ARG A 120 9.458 -84.981 -24.875 1.00 3.51 H new ATOM 0 HH11 ARG A 120 10.677 -85.208 -21.563 1.00 3.32 H new ATOM 0 HH12 ARG A 120 12.172 -86.014 -22.049 1.00 3.32 H new ATOM 0 HH21 ARG A 120 11.357 -86.074 -25.474 1.00 2.32 H new ATOM 0 HH22 ARG A 120 12.554 -86.500 -24.246 1.00 2.32 H new ATOM 1822 N ARG A 121 4.914 -80.446 -22.771 1.00 14.01 N ATOM 1823 CA ARG A 121 3.496 -80.147 -22.647 1.00 75.33 C ATOM 1824 C ARG A 121 2.720 -81.066 -23.584 1.00 64.21 C ATOM 1825 O ARG A 121 2.742 -80.823 -24.807 1.00 51.44 O ATOM 1826 CB ARG A 121 3.236 -78.667 -22.985 1.00 72.42 C ATOM 1827 CG ARG A 121 3.931 -77.688 -22.038 1.00 14.51 C ATOM 1828 CD ARG A 121 3.272 -77.651 -20.662 1.00 12.45 C ATOM 1829 NE ARG A 121 1.965 -76.988 -20.710 1.00 4.53 N ATOM 1830 CZ ARG A 121 0.984 -77.172 -19.825 1.00 42.14 C ATOM 1831 NH1 ARG A 121 1.132 -78.021 -18.812 1.00 1.44 N ATOM 1832 NH2 ARG A 121 -0.146 -76.485 -19.956 1.00 65.01 N ATOM 1833 OXT ARG A 121 2.132 -82.058 -23.097 1.00 0.00 O ATOM 0 H ARG A 121 5.271 -80.365 -23.723 1.00 14.01 H new ATOM 0 HA ARG A 121 3.165 -80.317 -21.623 1.00 75.33 H new ATOM 0 HB2 ARG A 121 3.570 -78.472 -24.004 1.00 72.42 H new ATOM 0 HB3 ARG A 121 2.162 -78.481 -22.961 1.00 72.42 H new ATOM 0 HG2 ARG A 121 4.978 -77.971 -21.930 1.00 14.51 H new ATOM 0 HG3 ARG A 121 3.914 -76.689 -22.474 1.00 14.51 H new ATOM 0 HD2 ARG A 121 3.152 -78.668 -20.287 1.00 12.45 H new ATOM 0 HD3 ARG A 121 3.921 -77.127 -19.960 1.00 12.45 H new ATOM 0 HE ARG A 121 1.793 -76.338 -21.477 1.00 4.53 H new ATOM 0 HH11 ARG A 121 2.003 -78.540 -18.705 1.00 1.44 H new ATOM 0 HH12 ARG A 121 0.374 -78.153 -18.142 1.00 1.44 H new ATOM 0 HH21 ARG A 121 -0.256 -75.826 -20.727 1.00 65.01 H new ATOM 0 HH22 ARG A 121 -0.904 -76.617 -19.286 1.00 65.01 H new TER 1847 ARG A 121