USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 825 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: B 6 LYS NZ :NH3+ -163:sc= 0.0518 (180deg=0) USER MOD Set 1.2: B 68 HIS : no HE2:sc= 0.0532 X(o=0.1,f=-0.0012) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 55 THR OG1 : rot 119:sc= 0.554 USER MOD Set 2.3: B 57 SER OG : rot 180:sc= 0.499 USER MOD Set 3.1: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 19 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 7 THR OG1 : rot 113:sc= 1.05 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.899 USER MOD Set 5.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: B 48 LYS NZ :NH3+ -147:sc= -0.918 (180deg=-1.91!) USER MOD Set 6.1: A 16 CYS SG : rot -105:sc= 0.768 USER MOD Set 6.2: A 18 THR OG1 : rot 140:sc= 1.11 USER MOD Set 6.3: A 20 CYS SG : rot -106:sc= -0.0662 USER MOD Set 6.4: A 32 CYS SG : rot -140:sc= 0.068 USER MOD Set 6.5: A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 115:sc= 0.0069 USER MOD Single : A 25 ASN :FLIP amide:sc= -3.52! C(o=-4.1!,f=-3.5!) USER MOD Single : A 28 THR OG1 : rot 164:sc= -1.65! USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 31 MET CE :methyl 162:sc= -0.22 (180deg=-0.675) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -1.8 F(o=-4.1,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 179:sc= 1.6 (180deg=1.59) USER MOD Single : B 2 GLN :FLIP amide:sc= 0.0976 F(o=-2.1,f=0.098) USER MOD Single : B 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00395) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -77:sc= 0.0772 USER MOD Single : B 20 SER OG : rot 180:sc= 0.00392 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.234 USER MOD Single : B 25 ASN :FLIP amide:sc= -0.138 F(o=-4.2!,f=-0.14) USER MOD Single : B 27 LYS NZ :NH3+ -167:sc= 0.493 (180deg=0.423) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.72 X(o=-0.72,f=-1) USER MOD Single : B 33 LYS NZ :NH3+ -120:sc= 0.0021 (180deg=0) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0919 F(o=-1.7!,f=-0.092) USER MOD Single : B 41 GLN : amide:sc= -2.05! K(o=-2!,f=-4) USER MOD Single : B 49 GLN : amide:sc= -0.0396 K(o=-0.04,f=-3.3!) USER MOD Single : B 59 TYR OH : rot -39:sc= -0.326 USER MOD Single : B 60 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.2!) USER MOD Single : B 62 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 90:sc= 0.573 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 13 10.155 -10.161 -2.756 1.00 10.00 N ATOM 9 CA PRO A 13 10.317 -9.061 -3.713 1.00 10.00 C ATOM 10 C PRO A 13 9.089 -8.152 -3.756 1.00 10.00 C ATOM 11 O PRO A 13 8.268 -8.242 -4.673 1.00 10.00 O ATOM 12 CB PRO A 13 10.541 -9.771 -5.057 1.00 10.00 C ATOM 13 CG PRO A 13 9.940 -11.130 -4.896 1.00 10.00 C ATOM 14 CD PRO A 13 10.024 -11.473 -3.425 1.00 10.00 C ATOM 0 HA PRO A 13 11.140 -8.399 -3.444 1.00 10.00 H new ATOM 0 HB2 PRO A 13 10.066 -9.226 -5.873 1.00 10.00 H new ATOM 0 HB3 PRO A 13 11.603 -9.837 -5.294 1.00 10.00 H new ATOM 0 HG2 PRO A 13 8.905 -11.138 -5.236 1.00 10.00 H new ATOM 0 HG3 PRO A 13 10.478 -11.864 -5.496 1.00 10.00 H new ATOM 0 HD2 PRO A 13 9.134 -12.005 -3.088 1.00 10.00 H new ATOM 0 HD3 PRO A 13 10.879 -12.115 -3.214 1.00 10.00 H new ATOM 22 N MET A 14 8.979 -7.270 -2.757 1.00 10.00 N ATOM 23 CA MET A 14 7.853 -6.341 -2.675 1.00 10.00 C ATOM 24 C MET A 14 7.979 -5.258 -3.747 1.00 10.00 C ATOM 25 O MET A 14 8.462 -4.154 -3.482 1.00 10.00 O ATOM 26 CB MET A 14 7.792 -5.708 -1.276 1.00 10.00 C ATOM 27 CG MET A 14 7.152 -6.696 -0.295 1.00 10.00 C ATOM 28 SD MET A 14 5.372 -6.802 -0.616 1.00 10.00 S ATOM 29 CE MET A 14 4.833 -6.989 1.099 1.00 10.00 C ATOM 0 H MET A 14 9.654 -7.182 -1.998 1.00 10.00 H new ATOM 0 HA MET A 14 6.929 -6.892 -2.849 1.00 10.00 H new ATOM 0 HB2 MET A 14 8.795 -5.444 -0.941 1.00 10.00 H new ATOM 0 HB3 MET A 14 7.214 -4.785 -1.308 1.00 10.00 H new ATOM 0 HG2 MET A 14 7.610 -7.679 -0.402 1.00 10.00 H new ATOM 0 HG3 MET A 14 7.328 -6.372 0.731 1.00 10.00 H new ATOM 0 HE1 MET A 14 3.747 -7.073 1.132 1.00 10.00 H new ATOM 0 HE2 MET A 14 5.280 -7.887 1.525 1.00 10.00 H new ATOM 0 HE3 MET A 14 5.147 -6.119 1.676 1.00 10.00 H new ATOM 39 N LEU A 15 7.546 -5.592 -4.966 1.00 10.00 N ATOM 40 CA LEU A 15 7.614 -4.656 -6.089 1.00 10.00 C ATOM 41 C LEU A 15 6.530 -3.586 -5.954 1.00 10.00 C ATOM 42 O LEU A 15 5.437 -3.863 -5.462 1.00 10.00 O ATOM 43 CB LEU A 15 7.448 -5.430 -7.417 1.00 10.00 C ATOM 44 CG LEU A 15 8.651 -5.188 -8.346 1.00 10.00 C ATOM 45 CD1 LEU A 15 9.924 -5.769 -7.722 1.00 10.00 C ATOM 46 CD2 LEU A 15 8.392 -5.872 -9.690 1.00 10.00 C ATOM 0 H LEU A 15 7.146 -6.501 -5.199 1.00 10.00 H new ATOM 0 HA LEU A 15 8.585 -4.160 -6.085 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.350 -6.496 -7.212 1.00 10.00 H new ATOM 0 HB3 LEU A 15 6.530 -5.116 -7.914 1.00 10.00 H new ATOM 0 HG LEU A 15 8.782 -4.116 -8.490 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.769 -5.592 -8.388 1.00 10.00 H new ATOM 0 HD12 LEU A 15 10.111 -5.287 -6.762 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.799 -6.841 -7.572 1.00 10.00 H new ATOM 0 HD21 LEU A 15 9.241 -5.704 -10.353 1.00 10.00 H new ATOM 0 HD22 LEU A 15 8.259 -6.943 -9.534 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.491 -5.457 -10.142 1.00 10.00 H new ATOM 58 N CYS A 16 6.852 -2.354 -6.375 1.00 10.00 N ATOM 59 CA CYS A 16 5.921 -1.214 -6.284 1.00 10.00 C ATOM 60 C CYS A 16 4.483 -1.552 -6.719 1.00 10.00 C ATOM 61 O CYS A 16 4.260 -2.167 -7.761 1.00 10.00 O ATOM 62 CB CYS A 16 6.438 -0.053 -7.136 1.00 10.00 C ATOM 63 SG CYS A 16 5.643 1.482 -6.600 1.00 10.00 S ATOM 0 H CYS A 16 7.756 -2.118 -6.785 1.00 10.00 H new ATOM 0 HA CYS A 16 5.880 -0.940 -5.230 1.00 10.00 H new ATOM 0 HB2 CYS A 16 7.520 0.031 -7.038 1.00 10.00 H new ATOM 0 HB3 CYS A 16 6.226 -0.237 -8.189 1.00 10.00 H new ATOM 0 HG CYS A 16 4.741 1.830 -7.469 1.00 10.00 H new ATOM 68 N SER A 17 3.526 -1.141 -5.882 1.00 10.00 N ATOM 69 CA SER A 17 2.109 -1.392 -6.144 1.00 10.00 C ATOM 70 C SER A 17 1.631 -0.643 -7.391 1.00 10.00 C ATOM 71 O SER A 17 0.751 -1.128 -8.107 1.00 10.00 O ATOM 72 CB SER A 17 1.272 -0.964 -4.936 1.00 10.00 C ATOM 73 OG SER A 17 1.718 -1.667 -3.785 1.00 10.00 O ATOM 0 H SER A 17 3.709 -0.633 -5.017 1.00 10.00 H new ATOM 0 HA SER A 17 1.984 -2.461 -6.319 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.363 0.111 -4.778 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.217 -1.172 -5.117 1.00 10.00 H new ATOM 0 HG SER A 17 2.101 -1.034 -3.143 1.00 10.00 H new ATOM 79 N THR A 18 2.204 0.537 -7.640 1.00 10.00 N ATOM 80 CA THR A 18 1.811 1.340 -8.803 1.00 10.00 C ATOM 81 C THR A 18 2.323 0.739 -10.127 1.00 10.00 C ATOM 82 O THR A 18 1.863 1.142 -11.196 1.00 10.00 O ATOM 83 CB THR A 18 2.325 2.775 -8.653 1.00 10.00 C ATOM 84 OG1 THR A 18 3.734 2.760 -8.509 1.00 10.00 O ATOM 85 CG2 THR A 18 1.687 3.425 -7.422 1.00 10.00 C ATOM 0 H THR A 18 2.933 0.955 -7.061 1.00 10.00 H new ATOM 0 HA THR A 18 0.722 1.340 -8.840 1.00 10.00 H new ATOM 0 HB THR A 18 2.059 3.350 -9.540 1.00 10.00 H new ATOM 0 HG1 THR A 18 4.123 3.502 -9.018 1.00 10.00 H new ATOM 0 HG21 THR A 18 2.055 4.446 -7.318 1.00 10.00 H new ATOM 0 HG22 THR A 18 0.603 3.440 -7.539 1.00 10.00 H new ATOM 0 HG23 THR A 18 1.948 2.853 -6.532 1.00 10.00 H new ATOM 93 N GLY A 19 3.254 -0.226 -10.059 1.00 10.00 N ATOM 94 CA GLY A 19 3.781 -0.860 -11.270 1.00 10.00 C ATOM 95 C GLY A 19 4.756 0.052 -12.007 1.00 10.00 C ATOM 96 O GLY A 19 4.697 0.163 -13.233 1.00 10.00 O ATOM 0 H GLY A 19 3.651 -0.578 -9.188 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.283 -1.790 -11.004 1.00 10.00 H new ATOM 0 HA3 GLY A 19 2.956 -1.121 -11.932 1.00 10.00 H new ATOM 100 N CYS A 20 5.652 0.702 -11.266 1.00 10.00 N ATOM 101 CA CYS A 20 6.626 1.608 -11.873 1.00 10.00 C ATOM 102 C CYS A 20 7.875 0.857 -12.380 1.00 10.00 C ATOM 103 O CYS A 20 8.714 1.445 -13.061 1.00 10.00 O ATOM 104 CB CYS A 20 7.017 2.711 -10.874 1.00 10.00 C ATOM 105 SG CYS A 20 8.029 2.112 -9.508 1.00 10.00 S ATOM 0 H CYS A 20 5.724 0.619 -10.252 1.00 10.00 H new ATOM 0 HA CYS A 20 6.156 2.068 -12.742 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.560 3.494 -11.403 1.00 10.00 H new ATOM 0 HB3 CYS A 20 6.111 3.166 -10.473 1.00 10.00 H new ATOM 0 HG CYS A 20 7.310 2.060 -8.426 1.00 10.00 H new ATOM 110 N GLY A 21 7.996 -0.444 -12.051 1.00 10.00 N ATOM 111 CA GLY A 21 9.144 -1.241 -12.510 1.00 10.00 C ATOM 112 C GLY A 21 10.275 -1.326 -11.474 1.00 10.00 C ATOM 113 O GLY A 21 11.331 -1.891 -11.766 1.00 10.00 O ATOM 0 H GLY A 21 7.324 -0.956 -11.479 1.00 10.00 H new ATOM 0 HA2 GLY A 21 8.805 -2.248 -12.752 1.00 10.00 H new ATOM 0 HA3 GLY A 21 9.535 -0.807 -13.430 1.00 10.00 H new ATOM 117 N PHE A 22 10.058 -0.774 -10.276 1.00 10.00 N ATOM 118 CA PHE A 22 11.073 -0.798 -9.222 1.00 10.00 C ATOM 119 C PHE A 22 10.566 -1.524 -7.989 1.00 10.00 C ATOM 120 O PHE A 22 9.517 -2.162 -8.031 1.00 10.00 O ATOM 121 CB PHE A 22 11.491 0.635 -8.889 1.00 10.00 C ATOM 122 CG PHE A 22 12.410 1.183 -9.949 1.00 10.00 C ATOM 123 CD1 PHE A 22 13.728 0.748 -10.017 1.00 10.00 C ATOM 124 CD2 PHE A 22 11.951 2.089 -10.896 1.00 10.00 C ATOM 125 CE1 PHE A 22 14.577 1.211 -11.008 1.00 10.00 C ATOM 126 CE2 PHE A 22 12.799 2.559 -11.888 1.00 10.00 C ATOM 127 CZ PHE A 22 14.114 2.118 -11.946 1.00 10.00 C ATOM 0 H PHE A 22 9.190 -0.307 -10.014 1.00 10.00 H new ATOM 0 HA PHE A 22 11.944 -1.347 -9.580 1.00 10.00 H new ATOM 0 HB2 PHE A 22 10.607 1.267 -8.806 1.00 10.00 H new ATOM 0 HB3 PHE A 22 11.991 0.657 -7.921 1.00 10.00 H new ATOM 0 HD1 PHE A 22 14.095 0.040 -9.288 1.00 10.00 H new ATOM 0 HD2 PHE A 22 10.927 2.430 -10.860 1.00 10.00 H new ATOM 0 HE1 PHE A 22 15.599 0.865 -11.049 1.00 10.00 H new ATOM 0 HE2 PHE A 22 12.436 3.269 -12.616 1.00 10.00 H new ATOM 0 HZ PHE A 22 14.774 2.481 -12.720 1.00 10.00 H new ATOM 137 N TYR A 23 11.318 -1.428 -6.895 1.00 10.00 N ATOM 138 CA TYR A 23 10.943 -2.087 -5.653 1.00 10.00 C ATOM 139 C TYR A 23 10.206 -1.133 -4.714 1.00 10.00 C ATOM 140 O TYR A 23 9.963 0.017 -5.059 1.00 10.00 O ATOM 141 CB TYR A 23 12.182 -2.647 -4.952 1.00 10.00 C ATOM 142 CG TYR A 23 12.511 -4.049 -5.403 1.00 10.00 C ATOM 143 CD1 TYR A 23 12.932 -4.278 -6.704 1.00 10.00 C ATOM 144 CD2 TYR A 23 12.379 -5.135 -4.545 1.00 10.00 C ATOM 145 CE1 TYR A 23 13.221 -5.554 -7.148 1.00 10.00 C ATOM 146 CE2 TYR A 23 12.665 -6.419 -4.981 1.00 10.00 C ATOM 147 CZ TYR A 23 13.086 -6.624 -6.286 1.00 10.00 C ATOM 148 OH TYR A 23 13.376 -7.903 -6.720 1.00 10.00 O ATOM 0 H TYR A 23 12.189 -0.900 -6.846 1.00 10.00 H new ATOM 0 HA TYR A 23 10.269 -2.906 -5.905 1.00 10.00 H new ATOM 0 HB2 TYR A 23 13.033 -1.995 -5.148 1.00 10.00 H new ATOM 0 HB3 TYR A 23 12.020 -2.643 -3.874 1.00 10.00 H new ATOM 0 HD1 TYR A 23 13.036 -3.444 -7.382 1.00 10.00 H new ATOM 0 HD2 TYR A 23 12.050 -4.976 -3.529 1.00 10.00 H new ATOM 0 HE1 TYR A 23 13.551 -5.714 -8.164 1.00 10.00 H new ATOM 0 HE2 TYR A 23 12.560 -7.256 -4.307 1.00 10.00 H new ATOM 0 HH TYR A 23 13.229 -8.538 -5.988 1.00 10.00 H new ATOM 158 N GLY A 24 9.850 -1.631 -3.525 1.00 10.00 N ATOM 159 CA GLY A 24 9.148 -0.819 -2.540 1.00 10.00 C ATOM 160 C GLY A 24 9.788 -0.921 -1.166 1.00 10.00 C ATOM 161 O GLY A 24 10.978 -1.220 -1.055 1.00 10.00 O ATOM 0 H GLY A 24 10.038 -2.588 -3.228 1.00 10.00 H new ATOM 0 HA2 GLY A 24 9.144 0.222 -2.863 1.00 10.00 H new ATOM 0 HA3 GLY A 24 8.107 -1.138 -2.481 1.00 10.00 H new ATOM 165 N ASN A 25 9.005 -0.670 -0.120 1.00 10.00 N ATOM 166 CA ASN A 25 9.512 -0.738 1.246 1.00 10.00 C ATOM 167 C ASN A 25 8.433 -1.250 2.201 1.00 10.00 C ATOM 168 O ASN A 25 7.361 -0.676 2.290 1.00 10.00 O ATOM 169 CB ASN A 25 9.961 0.643 1.719 1.00 10.00 C ATOM 170 CG ASN A 25 11.026 0.547 2.808 1.00 10.00 C ATOM 171 OD1 ASN A 25 11.124 1.552 3.671 1.00 10.00 O flip ATOM 172 ND2 ASN A 25 11.768 -0.423 2.871 1.00 10.00 N flip ATOM 0 H ASN A 25 8.019 -0.418 -0.193 1.00 10.00 H new ATOM 0 HA ASN A 25 10.358 -1.425 1.249 1.00 10.00 H new ATOM 0 HB2 ASN A 25 10.355 1.207 0.874 1.00 10.00 H new ATOM 0 HB3 ASN A 25 9.101 1.195 2.098 1.00 10.00 H new ATOM 0 HD21 ASN A 25 11.673 -1.182 2.197 1.00 10.00 H new ATOM 0 HD22 ASN A 25 12.482 -0.473 3.598 1.00 10.00 H new ATOM 179 N PRO A 26 8.677 -2.348 2.943 1.00 10.00 N ATOM 180 CA PRO A 26 7.664 -2.888 3.906 1.00 10.00 C ATOM 181 C PRO A 26 7.425 -1.940 5.086 1.00 10.00 C ATOM 182 O PRO A 26 6.385 -2.023 5.745 1.00 10.00 O ATOM 183 CB PRO A 26 8.258 -4.215 4.364 1.00 10.00 C ATOM 184 CG PRO A 26 9.729 -4.067 4.171 1.00 10.00 C ATOM 185 CD PRO A 26 9.904 -3.175 2.946 1.00 10.00 C ATOM 0 HA PRO A 26 6.683 -3.005 3.445 1.00 10.00 H new ATOM 0 HB2 PRO A 26 8.015 -4.417 5.407 1.00 10.00 H new ATOM 0 HB3 PRO A 26 7.865 -5.046 3.779 1.00 10.00 H new ATOM 0 HG2 PRO A 26 10.195 -3.620 5.049 1.00 10.00 H new ATOM 0 HG3 PRO A 26 10.202 -5.037 4.018 1.00 10.00 H new ATOM 0 HD2 PRO A 26 10.802 -2.561 3.021 1.00 10.00 H new ATOM 0 HD3 PRO A 26 9.995 -3.762 2.032 1.00 10.00 H new ATOM 193 N ARG A 27 8.363 -1.012 5.327 1.00 10.00 N ATOM 194 CA ARG A 27 8.206 -0.028 6.402 1.00 10.00 C ATOM 195 C ARG A 27 7.226 1.068 5.962 1.00 10.00 C ATOM 196 O ARG A 27 6.358 1.481 6.731 1.00 10.00 O ATOM 197 CB ARG A 27 9.555 0.613 6.735 1.00 10.00 C ATOM 198 CG ARG A 27 10.572 -0.473 7.093 1.00 10.00 C ATOM 199 CD ARG A 27 11.956 0.160 7.283 1.00 10.00 C ATOM 200 NE ARG A 27 12.023 0.869 8.570 1.00 10.00 N ATOM 201 CZ ARG A 27 13.186 1.133 9.200 1.00 10.00 C ATOM 202 NH1 ARG A 27 14.344 0.734 8.719 1.00 10.00 N ATOM 203 NH2 ARG A 27 13.164 1.795 10.323 1.00 10.00 N ATOM 0 H ARG A 27 9.230 -0.924 4.796 1.00 10.00 H new ATOM 0 HA ARG A 27 7.820 -0.536 7.286 1.00 10.00 H new ATOM 0 HB2 ARG A 27 9.913 1.192 5.884 1.00 10.00 H new ATOM 0 HB3 ARG A 27 9.442 1.307 7.568 1.00 10.00 H new ATOM 0 HG2 ARG A 27 10.267 -0.985 8.006 1.00 10.00 H new ATOM 0 HG3 ARG A 27 10.610 -1.224 6.304 1.00 10.00 H new ATOM 0 HD2 ARG A 27 12.724 -0.612 7.245 1.00 10.00 H new ATOM 0 HD3 ARG A 27 12.161 0.853 6.467 1.00 10.00 H new ATOM 0 HE ARG A 27 11.152 1.174 9.005 1.00 10.00 H new ATOM 0 HH11 ARG A 27 14.380 0.209 7.845 1.00 10.00 H new ATOM 0 HH12 ARG A 27 15.206 0.950 9.220 1.00 10.00 H new ATOM 0 HH21 ARG A 27 12.275 2.106 10.714 1.00 10.00 H new ATOM 0 HH22 ARG A 27 14.036 2.002 10.810 1.00 10.00 H new ATOM 217 N THR A 28 7.361 1.505 4.700 1.00 10.00 N ATOM 218 CA THR A 28 6.475 2.518 4.141 1.00 10.00 C ATOM 219 C THR A 28 5.151 1.835 3.743 1.00 10.00 C ATOM 220 O THR A 28 4.795 0.811 4.332 1.00 10.00 O ATOM 221 CB THR A 28 7.158 3.203 2.936 1.00 10.00 C ATOM 222 OG1 THR A 28 7.361 2.248 1.905 1.00 10.00 O ATOM 223 CG2 THR A 28 8.510 3.799 3.352 1.00 10.00 C ATOM 0 H THR A 28 8.076 1.169 4.055 1.00 10.00 H new ATOM 0 HA THR A 28 6.261 3.296 4.874 1.00 10.00 H new ATOM 0 HB THR A 28 6.515 4.007 2.577 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.544 2.712 1.061 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.977 4.277 2.491 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.355 4.538 4.138 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.159 3.005 3.722 1.00 10.00 H new ATOM 231 N ASN A 29 4.425 2.386 2.764 1.00 10.00 N ATOM 232 CA ASN A 29 3.154 1.802 2.328 1.00 10.00 C ATOM 233 C ASN A 29 3.347 0.777 1.196 1.00 10.00 C ATOM 234 O ASN A 29 2.440 0.572 0.387 1.00 10.00 O ATOM 235 CB ASN A 29 2.226 2.927 1.857 1.00 10.00 C ATOM 236 CG ASN A 29 1.556 3.582 3.060 1.00 10.00 C ATOM 237 OD1 ASN A 29 2.233 3.964 4.013 1.00 10.00 O ATOM 238 ND2 ASN A 29 0.263 3.736 3.075 1.00 10.00 N ATOM 0 H ASN A 29 4.695 3.231 2.261 1.00 10.00 H new ATOM 0 HA ASN A 29 2.715 1.272 3.173 1.00 10.00 H new ATOM 0 HB2 ASN A 29 2.795 3.669 1.297 1.00 10.00 H new ATOM 0 HB3 ASN A 29 1.470 2.528 1.181 1.00 10.00 H new ATOM 0 HD21 ASN A 29 -0.189 4.174 3.878 1.00 10.00 H new ATOM 0 HD22 ASN A 29 -0.298 3.419 2.284 1.00 10.00 H new ATOM 245 N GLY A 30 4.530 0.148 1.125 1.00 10.00 N ATOM 246 CA GLY A 30 4.814 -0.824 0.071 1.00 10.00 C ATOM 247 C GLY A 30 5.315 -0.130 -1.205 1.00 10.00 C ATOM 248 O GLY A 30 5.397 -0.763 -2.261 1.00 10.00 O ATOM 0 H GLY A 30 5.296 0.297 1.781 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.564 -1.534 0.420 1.00 10.00 H new ATOM 0 HA3 GLY A 30 3.913 -1.396 -0.153 1.00 10.00 H new ATOM 252 N MET A 31 5.629 1.177 -1.112 1.00 10.00 N ATOM 253 CA MET A 31 6.091 1.938 -2.267 1.00 10.00 C ATOM 254 C MET A 31 7.471 2.544 -2.014 1.00 10.00 C ATOM 255 O MET A 31 7.912 2.661 -0.869 1.00 10.00 O ATOM 256 CB MET A 31 5.094 3.063 -2.557 1.00 10.00 C ATOM 257 CG MET A 31 3.956 2.545 -3.437 1.00 10.00 C ATOM 258 SD MET A 31 2.823 1.533 -2.454 1.00 10.00 S ATOM 259 CE MET A 31 1.275 2.235 -3.082 1.00 10.00 C ATOM 0 H MET A 31 5.568 1.717 -0.249 1.00 10.00 H new ATOM 0 HA MET A 31 6.163 1.262 -3.119 1.00 10.00 H new ATOM 0 HB2 MET A 31 4.692 3.453 -1.622 1.00 10.00 H new ATOM 0 HB3 MET A 31 5.601 3.889 -3.055 1.00 10.00 H new ATOM 0 HG2 MET A 31 3.417 3.383 -3.879 1.00 10.00 H new ATOM 0 HG3 MET A 31 4.361 1.956 -4.260 1.00 10.00 H new ATOM 0 HE1 MET A 31 0.451 1.557 -2.859 1.00 10.00 H new ATOM 0 HE2 MET A 31 1.092 3.198 -2.605 1.00 10.00 H new ATOM 0 HE3 MET A 31 1.349 2.373 -4.161 1.00 10.00 H new ATOM 269 N CYS A 32 8.142 2.925 -3.097 1.00 10.00 N ATOM 270 CA CYS A 32 9.466 3.528 -3.013 1.00 10.00 C ATOM 271 C CYS A 32 9.359 4.948 -2.435 1.00 10.00 C ATOM 272 O CYS A 32 8.280 5.369 -2.029 1.00 10.00 O ATOM 273 CB CYS A 32 10.120 3.517 -4.407 1.00 10.00 C ATOM 274 SG CYS A 32 9.115 4.311 -5.673 1.00 10.00 S ATOM 0 H CYS A 32 7.787 2.825 -4.048 1.00 10.00 H new ATOM 0 HA CYS A 32 10.101 2.951 -2.340 1.00 10.00 H new ATOM 0 HB2 CYS A 32 11.086 4.020 -4.351 1.00 10.00 H new ATOM 0 HB3 CYS A 32 10.314 2.486 -4.701 1.00 10.00 H new ATOM 0 HG CYS A 32 9.188 3.628 -6.777 1.00 10.00 H new ATOM 279 N SER A 33 10.464 5.685 -2.388 1.00 10.00 N ATOM 280 CA SER A 33 10.456 7.045 -1.821 1.00 10.00 C ATOM 281 C SER A 33 9.884 8.092 -2.780 1.00 10.00 C ATOM 282 O SER A 33 9.801 9.273 -2.442 1.00 10.00 O ATOM 283 CB SER A 33 11.878 7.451 -1.423 1.00 10.00 C ATOM 284 OG SER A 33 12.743 7.334 -2.518 1.00 10.00 O ATOM 0 H SER A 33 11.373 5.374 -2.730 1.00 10.00 H new ATOM 0 HA SER A 33 9.805 7.015 -0.948 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.881 8.478 -1.057 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.228 6.820 -0.606 1.00 10.00 H new ATOM 0 HG SER A 33 13.648 7.598 -2.250 1.00 10.00 H new ATOM 290 N VAL A 34 9.481 7.650 -3.968 1.00 10.00 N ATOM 291 CA VAL A 34 8.949 8.550 -4.990 1.00 10.00 C ATOM 292 C VAL A 34 7.414 8.625 -4.973 1.00 10.00 C ATOM 293 O VAL A 34 6.843 9.716 -4.937 1.00 10.00 O ATOM 294 CB VAL A 34 9.424 8.125 -6.395 1.00 10.00 C ATOM 295 CG1 VAL A 34 8.975 9.147 -7.436 1.00 10.00 C ATOM 296 CG2 VAL A 34 10.946 7.975 -6.426 1.00 10.00 C ATOM 0 H VAL A 34 9.513 6.670 -4.249 1.00 10.00 H new ATOM 0 HA VAL A 34 9.334 9.542 -4.754 1.00 10.00 H new ATOM 0 HB VAL A 34 8.976 7.160 -6.632 1.00 10.00 H new ATOM 0 HG11 VAL A 34 9.317 8.835 -8.423 1.00 10.00 H new ATOM 0 HG12 VAL A 34 7.887 9.215 -7.433 1.00 10.00 H new ATOM 0 HG13 VAL A 34 9.400 10.122 -7.196 1.00 10.00 H new ATOM 0 HG21 VAL A 34 11.262 7.675 -7.425 1.00 10.00 H new ATOM 0 HG22 VAL A 34 11.411 8.927 -6.169 1.00 10.00 H new ATOM 0 HG23 VAL A 34 11.252 7.216 -5.706 1.00 10.00 H new ATOM 306 N CYS A 35 6.763 7.471 -4.985 1.00 10.00 N ATOM 307 CA CYS A 35 5.301 7.397 -4.988 1.00 10.00 C ATOM 308 C CYS A 35 4.700 7.605 -3.597 1.00 10.00 C ATOM 309 O CYS A 35 3.559 8.051 -3.477 1.00 10.00 O ATOM 310 CB CYS A 35 4.868 6.048 -5.547 1.00 10.00 C ATOM 311 SG CYS A 35 5.469 5.782 -7.224 1.00 10.00 S ATOM 0 H CYS A 35 7.226 6.562 -4.993 1.00 10.00 H new ATOM 0 HA CYS A 35 4.929 8.205 -5.618 1.00 10.00 H new ATOM 0 HB2 CYS A 35 5.238 5.253 -4.900 1.00 10.00 H new ATOM 0 HB3 CYS A 35 3.780 5.985 -5.539 1.00 10.00 H new ATOM 0 HG CYS A 35 5.073 4.619 -7.648 1.00 10.00 H new ATOM 316 N TYR A 36 5.482 7.308 -2.561 1.00 10.00 N ATOM 317 CA TYR A 36 5.019 7.453 -1.173 1.00 10.00 C ATOM 318 C TYR A 36 4.615 8.899 -0.842 1.00 10.00 C ATOM 319 O TYR A 36 3.542 9.126 -0.281 1.00 10.00 O ATOM 320 CB TYR A 36 6.118 6.955 -0.205 1.00 10.00 C ATOM 321 CG TYR A 36 5.708 7.082 1.260 1.00 10.00 C ATOM 322 CD1 TYR A 36 4.410 6.738 1.682 1.00 10.00 C ATOM 323 CD2 TYR A 36 6.643 7.534 2.197 1.00 10.00 C ATOM 324 CE1 TYR A 36 4.059 6.849 3.033 1.00 10.00 C ATOM 325 CE2 TYR A 36 6.290 7.647 3.547 1.00 10.00 C ATOM 326 CZ TYR A 36 4.999 7.305 3.966 1.00 10.00 C ATOM 327 OH TYR A 36 4.654 7.412 5.296 1.00 10.00 O ATOM 0 H TYR A 36 6.439 6.966 -2.651 1.00 10.00 H new ATOM 0 HA TYR A 36 4.124 6.843 -1.052 1.00 10.00 H new ATOM 0 HB2 TYR A 36 6.347 5.912 -0.426 1.00 10.00 H new ATOM 0 HB3 TYR A 36 7.032 7.525 -0.374 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.684 6.388 0.963 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.641 7.797 1.878 1.00 10.00 H new ATOM 0 HE1 TYR A 36 3.063 6.583 3.356 1.00 10.00 H new ATOM 0 HE2 TYR A 36 7.015 7.999 4.266 1.00 10.00 H new ATOM 0 HH TYR A 36 5.422 7.742 5.808 1.00 10.00 H new ATOM 337 N LYS A 37 5.471 9.862 -1.186 1.00 10.00 N ATOM 338 CA LYS A 37 5.173 11.266 -0.901 1.00 10.00 C ATOM 339 C LYS A 37 4.072 11.767 -1.830 1.00 10.00 C ATOM 340 O LYS A 37 3.155 12.466 -1.398 1.00 10.00 O ATOM 341 CB LYS A 37 6.436 12.142 -1.026 1.00 10.00 C ATOM 342 CG LYS A 37 7.021 12.076 -2.441 1.00 10.00 C ATOM 343 CD LYS A 37 8.285 12.931 -2.512 1.00 10.00 C ATOM 344 CE LYS A 37 8.696 13.108 -3.973 1.00 10.00 C ATOM 345 NZ LYS A 37 10.080 13.659 -4.036 1.00 10.00 N ATOM 0 H LYS A 37 6.362 9.700 -1.655 1.00 10.00 H new ATOM 0 HA LYS A 37 4.823 11.339 0.129 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.191 13.175 -0.779 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.184 11.811 -0.305 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.253 11.043 -2.702 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.288 12.431 -3.166 1.00 10.00 H new ATOM 0 HD2 LYS A 37 8.106 13.903 -2.053 1.00 10.00 H new ATOM 0 HD3 LYS A 37 9.090 12.457 -1.951 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.650 12.151 -4.493 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.002 13.780 -4.478 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.361 13.780 -5.030 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 10.109 14.580 -3.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 10.737 13.002 -3.568 1.00 10.00 H new ATOM 359 N GLU A 38 4.187 11.415 -3.113 1.00 10.00 N ATOM 360 CA GLU A 38 3.215 11.839 -4.124 1.00 10.00 C ATOM 361 C GLU A 38 1.781 11.458 -3.743 1.00 10.00 C ATOM 362 O GLU A 38 0.852 12.237 -3.975 1.00 10.00 O ATOM 363 CB GLU A 38 3.562 11.205 -5.476 1.00 10.00 C ATOM 364 CG GLU A 38 4.690 12.000 -6.140 1.00 10.00 C ATOM 365 CD GLU A 38 4.131 13.275 -6.760 1.00 10.00 C ATOM 366 OE1 GLU A 38 3.127 13.185 -7.444 1.00 10.00 O ATOM 367 OE2 GLU A 38 4.717 14.321 -6.538 1.00 10.00 O ATOM 0 H GLU A 38 4.944 10.837 -3.477 1.00 10.00 H new ATOM 0 HA GLU A 38 3.268 12.926 -4.189 1.00 10.00 H new ATOM 0 HB2 GLU A 38 3.868 10.168 -5.335 1.00 10.00 H new ATOM 0 HB3 GLU A 38 2.683 11.194 -6.120 1.00 10.00 H new ATOM 0 HG2 GLU A 38 5.454 12.248 -5.403 1.00 10.00 H new ATOM 0 HG3 GLU A 38 5.172 11.393 -6.907 1.00 10.00 H new ATOM 374 N HIS A 39 1.600 10.259 -3.171 1.00 10.00 N ATOM 375 CA HIS A 39 0.256 9.813 -2.786 1.00 10.00 C ATOM 376 C HIS A 39 -0.139 10.329 -1.393 1.00 10.00 C ATOM 377 O HIS A 39 -1.311 10.607 -1.137 1.00 10.00 O ATOM 378 CB HIS A 39 0.120 8.271 -2.916 1.00 10.00 C ATOM 379 CG HIS A 39 0.711 7.496 -1.751 1.00 10.00 C ATOM 380 ND1 HIS A 39 0.502 7.550 -0.391 1.00 10.00 N flip ATOM 381 CD2 HIS A 39 1.589 6.442 -1.950 1.00 10.00 C flip ATOM 382 CE1 HIS A 39 1.227 6.547 0.238 1.00 10.00 C flip ATOM 383 NE2 HIS A 39 1.862 5.906 -0.745 1.00 10.00 N flip ATOM 0 H HIS A 39 2.348 9.596 -2.969 1.00 10.00 H new ATOM 0 HA HIS A 39 -0.456 10.253 -3.484 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -0.936 8.017 -3.009 1.00 10.00 H new ATOM 0 HB3 HIS A 39 0.608 7.950 -3.837 1.00 10.00 H new ATOM 0 HD2 HIS A 39 1.983 6.111 -2.899 1.00 10.00 H new ATOM 0 HE1 HIS A 39 1.268 6.332 1.296 1.00 10.00 H new ATOM 0 HE2 HIS A 39 2.479 5.107 -0.601 1.00 10.00 H new ATOM 392 N LEU A 40 0.850 10.446 -0.503 1.00 10.00 N ATOM 393 CA LEU A 40 0.608 10.924 0.868 1.00 10.00 C ATOM 394 C LEU A 40 0.071 12.361 0.876 1.00 10.00 C ATOM 395 O LEU A 40 -0.686 12.741 1.772 1.00 10.00 O ATOM 396 CB LEU A 40 1.909 10.860 1.676 1.00 10.00 C ATOM 397 CG LEU A 40 1.608 11.019 3.167 1.00 10.00 C ATOM 398 CD1 LEU A 40 1.002 9.720 3.707 1.00 10.00 C ATOM 399 CD2 LEU A 40 2.908 11.332 3.921 1.00 10.00 C ATOM 0 H LEU A 40 1.824 10.218 -0.703 1.00 10.00 H new ATOM 0 HA LEU A 40 -0.144 10.277 1.320 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.411 9.909 1.497 1.00 10.00 H new ATOM 0 HB3 LEU A 40 2.589 11.646 1.348 1.00 10.00 H new ATOM 0 HG LEU A 40 0.901 11.836 3.310 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.787 9.833 4.770 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.079 9.499 3.172 1.00 10.00 H new ATOM 0 HD13 LEU A 40 1.708 8.902 3.564 1.00 10.00 H new ATOM 0 HD21 LEU A 40 2.694 11.445 4.984 1.00 10.00 H new ATOM 0 HD22 LEU A 40 3.617 10.516 3.779 1.00 10.00 H new ATOM 0 HD23 LEU A 40 3.338 12.257 3.537 1.00 10.00 H new ATOM 411 N GLN A 41 0.473 13.148 -0.121 1.00 10.00 N ATOM 412 CA GLN A 41 0.040 14.545 -0.221 1.00 10.00 C ATOM 413 C GLN A 41 -1.467 14.645 -0.481 1.00 10.00 C ATOM 414 O GLN A 41 -2.140 15.518 0.073 1.00 10.00 O ATOM 415 CB GLN A 41 0.815 15.237 -1.352 1.00 10.00 C ATOM 416 CG GLN A 41 2.110 15.842 -0.798 1.00 10.00 C ATOM 417 CD GLN A 41 2.932 16.442 -1.931 1.00 10.00 C ATOM 418 OE1 GLN A 41 3.720 15.739 -2.568 1.00 10.00 O ATOM 419 NE2 GLN A 41 2.800 17.707 -2.220 1.00 10.00 N ATOM 0 H GLN A 41 1.096 12.845 -0.870 1.00 10.00 H new ATOM 0 HA GLN A 41 0.248 15.040 0.728 1.00 10.00 H new ATOM 0 HB2 GLN A 41 1.046 14.520 -2.139 1.00 10.00 H new ATOM 0 HB3 GLN A 41 0.201 16.017 -1.802 1.00 10.00 H new ATOM 0 HG2 GLN A 41 1.876 16.610 -0.061 1.00 10.00 H new ATOM 0 HG3 GLN A 41 2.689 15.074 -0.285 1.00 10.00 H new ATOM 0 HE21 GLN A 41 2.147 18.286 -1.691 1.00 10.00 H new ATOM 0 HE22 GLN A 41 3.349 18.118 -2.975 1.00 10.00 H new ATOM 428 N ARG A 42 -1.988 13.749 -1.322 1.00 10.00 N ATOM 429 CA ARG A 42 -3.419 13.746 -1.647 1.00 10.00 C ATOM 430 C ARG A 42 -4.238 13.089 -0.537 1.00 10.00 C ATOM 431 O ARG A 42 -5.393 13.457 -0.310 1.00 10.00 O ATOM 432 CB ARG A 42 -3.653 12.997 -2.958 1.00 10.00 C ATOM 433 CG ARG A 42 -3.124 13.838 -4.118 1.00 10.00 C ATOM 434 CD ARG A 42 -3.027 12.970 -5.373 1.00 10.00 C ATOM 435 NE ARG A 42 -2.299 13.683 -6.428 1.00 10.00 N ATOM 436 CZ ARG A 42 -2.816 14.738 -7.086 1.00 10.00 C ATOM 437 NH1 ARG A 42 -4.031 15.180 -6.849 1.00 10.00 N ATOM 438 NH2 ARG A 42 -2.096 15.330 -7.999 1.00 10.00 N ATOM 0 H ARG A 42 -1.447 13.021 -1.788 1.00 10.00 H new ATOM 0 HA ARG A 42 -3.742 14.782 -1.748 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -3.149 12.031 -2.934 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -4.716 12.798 -3.092 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -3.786 14.685 -4.299 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -2.145 14.246 -3.868 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -2.518 12.035 -5.139 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -4.026 12.710 -5.722 1.00 10.00 H new ATOM 0 HE ARG A 42 -1.361 13.366 -6.674 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -4.613 14.721 -6.148 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -4.392 15.982 -7.366 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -1.156 14.992 -8.205 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -2.473 16.130 -8.506 1.00 10.00 H new ATOM 452 N GLN A 43 -3.632 12.122 0.154 1.00 10.00 N ATOM 453 CA GLN A 43 -4.305 11.424 1.244 1.00 10.00 C ATOM 454 C GLN A 43 -4.357 12.317 2.485 1.00 10.00 C ATOM 455 O GLN A 43 -5.349 12.320 3.217 1.00 10.00 O ATOM 456 CB GLN A 43 -3.555 10.128 1.564 1.00 10.00 C ATOM 457 CG GLN A 43 -4.502 9.126 2.229 1.00 10.00 C ATOM 458 CD GLN A 43 -5.246 8.309 1.173 1.00 10.00 C ATOM 459 OE1 GLN A 43 -4.727 8.071 0.081 1.00 10.00 O ATOM 460 NE2 GLN A 43 -6.442 7.861 1.441 1.00 10.00 N ATOM 0 H GLN A 43 -2.678 11.807 -0.023 1.00 10.00 H new ATOM 0 HA GLN A 43 -5.324 11.184 0.941 1.00 10.00 H new ATOM 0 HB2 GLN A 43 -3.144 9.701 0.649 1.00 10.00 H new ATOM 0 HB3 GLN A 43 -2.713 10.339 2.224 1.00 10.00 H new ATOM 0 HG2 GLN A 43 -3.937 8.460 2.881 1.00 10.00 H new ATOM 0 HG3 GLN A 43 -5.218 9.656 2.858 1.00 10.00 H new ATOM 0 HE21 GLN A 43 -6.870 8.059 2.345 1.00 10.00 H new ATOM 0 HE22 GLN A 43 -6.949 7.313 0.746 1.00 10.00 H new ATOM 469 N GLN A 44 -3.278 13.070 2.711 1.00 10.00 N ATOM 470 CA GLN A 44 -3.195 13.968 3.864 1.00 10.00 C ATOM 471 C GLN A 44 -4.081 15.199 3.665 1.00 10.00 C ATOM 472 O GLN A 44 -4.738 15.655 4.605 1.00 10.00 O ATOM 473 CB GLN A 44 -1.748 14.416 4.075 1.00 10.00 C ATOM 474 CG GLN A 44 -1.577 14.910 5.512 1.00 10.00 C ATOM 475 CD GLN A 44 -0.100 15.095 5.829 1.00 10.00 C ATOM 476 OE1 GLN A 44 0.434 14.436 6.723 1.00 10.00 O ATOM 477 NE2 GLN A 44 0.600 15.959 5.147 1.00 10.00 N ATOM 0 H GLN A 44 -2.452 13.076 2.112 1.00 10.00 H new ATOM 0 HA GLN A 44 -3.544 13.423 4.741 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -1.067 13.588 3.879 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -1.495 15.210 3.373 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -2.107 15.853 5.646 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -2.019 14.195 6.206 1.00 10.00 H new ATOM 0 HE21 GLN A 44 0.157 16.504 4.407 1.00 10.00 H new ATOM 0 HE22 GLN A 44 1.590 16.090 5.353 1.00 10.00 H new ATOM 486 N ASN A 45 -4.085 15.734 2.441 1.00 10.00 N ATOM 487 CA ASN A 45 -4.889 16.918 2.129 1.00 10.00 C ATOM 488 C ASN A 45 -6.382 16.602 2.219 1.00 10.00 C ATOM 489 O ASN A 45 -7.163 17.399 2.745 1.00 10.00 O ATOM 490 CB ASN A 45 -4.554 17.422 0.718 1.00 10.00 C ATOM 491 CG ASN A 45 -3.297 18.288 0.751 1.00 10.00 C ATOM 492 OD1 ASN A 45 -3.065 19.012 1.720 1.00 10.00 O ATOM 493 ND2 ASN A 45 -2.467 18.258 -0.257 1.00 10.00 N ATOM 0 H ASN A 45 -3.545 15.370 1.656 1.00 10.00 H new ATOM 0 HA ASN A 45 -4.653 17.692 2.859 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.404 16.576 0.048 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -5.390 17.998 0.322 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.626 18.835 -0.242 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.660 17.658 -1.059 1.00 10.00 H new ATOM 500 N SER A 46 -6.770 15.434 1.697 1.00 10.00 N ATOM 501 CA SER A 46 -8.172 15.018 1.717 1.00 10.00 C ATOM 502 C SER A 46 -8.588 14.579 3.120 1.00 10.00 C ATOM 503 O SER A 46 -9.460 15.198 3.736 1.00 10.00 O ATOM 504 CB SER A 46 -8.389 13.867 0.734 1.00 10.00 C ATOM 505 OG SER A 46 -9.759 13.825 0.356 1.00 10.00 O ATOM 0 H SER A 46 -6.136 14.765 1.259 1.00 10.00 H new ATOM 0 HA SER A 46 -8.785 15.869 1.422 1.00 10.00 H new ATOM 0 HB2 SER A 46 -7.761 14.002 -0.146 1.00 10.00 H new ATOM 0 HB3 SER A 46 -8.097 12.922 1.192 1.00 10.00 H new ATOM 0 HG SER A 46 -9.902 13.089 -0.276 1.00 10.00 H new ATOM 512 N MET B 1 23.274 0.916 9.339 1.00 10.00 N ATOM 513 CA MET B 1 23.468 -0.500 8.969 1.00 10.00 C ATOM 514 C MET B 1 24.677 -0.637 8.023 1.00 10.00 C ATOM 515 O MET B 1 24.971 0.242 7.220 1.00 10.00 O ATOM 516 CB MET B 1 22.196 -1.037 8.290 1.00 10.00 C ATOM 517 CG MET B 1 21.909 -0.410 6.918 1.00 10.00 C ATOM 518 SD MET B 1 20.404 -1.041 6.099 1.00 10.00 S ATOM 519 CE MET B 1 20.681 -0.411 4.457 1.00 10.00 C ATOM 0 H1 MET B 1 22.447 1.001 9.963 1.00 10.00 H new ATOM 0 H2 MET B 1 24.119 1.264 9.835 1.00 10.00 H new ATOM 0 H3 MET B 1 23.119 1.481 8.480 1.00 10.00 H new ATOM 0 HA MET B 1 23.662 -1.083 9.869 1.00 10.00 H new ATOM 0 HB2 MET B 1 22.287 -2.117 8.173 1.00 10.00 H new ATOM 0 HB3 MET B 1 21.343 -0.858 8.945 1.00 10.00 H new ATOM 0 HG2 MET B 1 21.817 0.670 7.038 1.00 10.00 H new ATOM 0 HG3 MET B 1 22.764 -0.587 6.266 1.00 10.00 H new ATOM 0 HE1 MET B 1 19.853 -0.702 3.811 1.00 10.00 H new ATOM 0 HE2 MET B 1 20.749 0.676 4.491 1.00 10.00 H new ATOM 0 HE3 MET B 1 21.611 -0.821 4.062 1.00 10.00 H new ATOM 531 N GLN B 2 25.368 -1.773 8.148 1.00 10.00 N ATOM 532 CA GLN B 2 26.472 -2.043 7.225 1.00 10.00 C ATOM 533 C GLN B 2 25.982 -2.931 6.080 1.00 10.00 C ATOM 534 O GLN B 2 25.097 -3.765 6.237 1.00 10.00 O ATOM 535 CB GLN B 2 27.642 -2.689 7.964 1.00 10.00 C ATOM 536 CG GLN B 2 27.464 -4.191 8.230 1.00 10.00 C ATOM 537 CD GLN B 2 28.675 -4.833 8.906 1.00 10.00 C ATOM 538 OE1 GLN B 2 29.828 -4.218 8.783 1.00 10.00 O flip ATOM 539 NE2 GLN B 2 28.589 -5.893 9.501 1.00 10.00 N flip ATOM 0 H GLN B 2 25.193 -2.494 8.849 1.00 10.00 H new ATOM 0 HA GLN B 2 26.826 -1.102 6.805 1.00 10.00 H new ATOM 0 HB2 GLN B 2 28.552 -2.539 7.383 1.00 10.00 H new ATOM 0 HB3 GLN B 2 27.784 -2.177 8.916 1.00 10.00 H new ATOM 0 HG2 GLN B 2 26.585 -4.340 8.857 1.00 10.00 H new ATOM 0 HG3 GLN B 2 27.272 -4.700 7.285 1.00 10.00 H new ATOM 0 HE21 GLN B 2 27.685 -6.358 9.587 1.00 10.00 H new ATOM 0 HE22 GLN B 2 29.421 -6.316 9.913 1.00 10.00 H new ATOM 548 N ILE B 3 26.578 -2.666 4.918 1.00 10.00 N ATOM 549 CA ILE B 3 26.377 -3.521 3.742 1.00 10.00 C ATOM 550 C ILE B 3 27.764 -3.726 3.104 1.00 10.00 C ATOM 551 O ILE B 3 28.671 -2.922 3.297 1.00 10.00 O ATOM 552 CB ILE B 3 25.319 -2.985 2.744 1.00 10.00 C ATOM 553 CG1 ILE B 3 25.819 -1.924 1.746 1.00 10.00 C ATOM 554 CG2 ILE B 3 24.010 -2.564 3.435 1.00 10.00 C ATOM 555 CD1 ILE B 3 26.278 -0.596 2.344 1.00 10.00 C ATOM 0 H ILE B 3 27.200 -1.873 4.763 1.00 10.00 H new ATOM 0 HA ILE B 3 25.951 -4.476 4.050 1.00 10.00 H new ATOM 0 HB ILE B 3 25.099 -3.851 2.119 1.00 10.00 H new ATOM 0 HG12 ILE B 3 26.648 -2.350 1.181 1.00 10.00 H new ATOM 0 HG13 ILE B 3 25.019 -1.720 1.034 1.00 10.00 H new ATOM 0 HG21 ILE B 3 23.306 -2.197 2.688 1.00 10.00 H new ATOM 0 HG22 ILE B 3 23.578 -3.422 3.950 1.00 10.00 H new ATOM 0 HG23 ILE B 3 24.217 -1.774 4.157 1.00 10.00 H new ATOM 0 HD11 ILE B 3 26.607 0.068 1.545 1.00 10.00 H new ATOM 0 HD12 ILE B 3 25.451 -0.134 2.883 1.00 10.00 H new ATOM 0 HD13 ILE B 3 27.105 -0.773 3.032 1.00 10.00 H new ATOM 567 N PHE B 4 27.853 -4.781 2.304 1.00 10.00 N ATOM 568 CA PHE B 4 29.131 -5.149 1.678 1.00 10.00 C ATOM 569 C PHE B 4 29.049 -4.940 0.165 1.00 10.00 C ATOM 570 O PHE B 4 28.003 -5.116 -0.443 1.00 10.00 O ATOM 571 CB PHE B 4 29.445 -6.612 2.002 1.00 10.00 C ATOM 572 CG PHE B 4 29.311 -6.892 3.501 1.00 10.00 C ATOM 573 CD1 PHE B 4 30.292 -6.463 4.386 1.00 10.00 C ATOM 574 CD2 PHE B 4 28.167 -7.520 3.975 1.00 10.00 C ATOM 575 CE1 PHE B 4 30.129 -6.676 5.748 1.00 10.00 C ATOM 576 CE2 PHE B 4 28.008 -7.737 5.337 1.00 10.00 C ATOM 577 CZ PHE B 4 28.990 -7.316 6.225 1.00 10.00 C ATOM 0 H PHE B 4 27.071 -5.394 2.071 1.00 10.00 H new ATOM 0 HA PHE B 4 29.929 -4.517 2.069 1.00 10.00 H new ATOM 0 HB2 PHE B 4 28.769 -7.263 1.447 1.00 10.00 H new ATOM 0 HB3 PHE B 4 30.457 -6.850 1.675 1.00 10.00 H new ATOM 0 HD1 PHE B 4 31.177 -5.966 4.016 1.00 10.00 H new ATOM 0 HD2 PHE B 4 27.401 -7.840 3.284 1.00 10.00 H new ATOM 0 HE1 PHE B 4 30.889 -6.344 6.440 1.00 10.00 H new ATOM 0 HE2 PHE B 4 27.122 -8.232 5.706 1.00 10.00 H new ATOM 0 HZ PHE B 4 28.869 -7.486 7.285 1.00 10.00 H new ATOM 587 N VAL B 5 30.138 -4.415 -0.381 1.00 10.00 N ATOM 588 CA VAL B 5 30.278 -4.183 -1.829 1.00 10.00 C ATOM 589 C VAL B 5 31.504 -4.965 -2.304 1.00 10.00 C ATOM 590 O VAL B 5 32.638 -4.609 -2.024 1.00 10.00 O ATOM 591 CB VAL B 5 30.408 -2.681 -2.161 1.00 10.00 C ATOM 592 CG1 VAL B 5 30.575 -2.447 -3.666 1.00 10.00 C ATOM 593 CG2 VAL B 5 29.184 -1.894 -1.684 1.00 10.00 C ATOM 0 H VAL B 5 30.955 -4.135 0.161 1.00 10.00 H new ATOM 0 HA VAL B 5 29.383 -4.528 -2.347 1.00 10.00 H new ATOM 0 HB VAL B 5 31.297 -2.329 -1.638 1.00 10.00 H new ATOM 0 HG11 VAL B 5 30.663 -1.378 -3.860 1.00 10.00 H new ATOM 0 HG12 VAL B 5 31.474 -2.955 -4.016 1.00 10.00 H new ATOM 0 HG13 VAL B 5 29.707 -2.841 -4.194 1.00 10.00 H new ATOM 0 HG21 VAL B 5 29.309 -0.840 -1.934 1.00 10.00 H new ATOM 0 HG22 VAL B 5 28.290 -2.280 -2.174 1.00 10.00 H new ATOM 0 HG23 VAL B 5 29.081 -2.001 -0.604 1.00 10.00 H new ATOM 603 N LYS B 6 31.207 -6.115 -2.908 1.00 10.00 N ATOM 604 CA LYS B 6 32.248 -6.973 -3.477 1.00 10.00 C ATOM 605 C LYS B 6 32.724 -6.411 -4.819 1.00 10.00 C ATOM 606 O LYS B 6 31.946 -6.053 -5.694 1.00 10.00 O ATOM 607 CB LYS B 6 31.661 -8.352 -3.732 1.00 10.00 C ATOM 608 CG LYS B 6 31.295 -9.108 -2.451 1.00 10.00 C ATOM 609 CD LYS B 6 30.622 -10.437 -2.807 1.00 10.00 C ATOM 610 CE LYS B 6 31.539 -11.324 -3.660 1.00 10.00 C ATOM 611 NZ LYS B 6 30.802 -12.448 -4.245 1.00 10.00 N ATOM 0 H LYS B 6 30.258 -6.474 -3.016 1.00 10.00 H new ATOM 0 HA LYS B 6 33.084 -7.022 -2.780 1.00 10.00 H new ATOM 0 HB2 LYS B 6 30.770 -8.250 -4.351 1.00 10.00 H new ATOM 0 HB3 LYS B 6 32.378 -8.944 -4.301 1.00 10.00 H new ATOM 0 HG2 LYS B 6 32.191 -9.291 -1.857 1.00 10.00 H new ATOM 0 HG3 LYS B 6 30.625 -8.503 -1.840 1.00 10.00 H new ATOM 0 HD2 LYS B 6 30.352 -10.965 -1.893 1.00 10.00 H new ATOM 0 HD3 LYS B 6 29.696 -10.243 -3.348 1.00 10.00 H new ATOM 0 HE2 LYS B 6 31.988 -10.728 -4.455 1.00 10.00 H new ATOM 0 HE3 LYS B 6 32.356 -11.703 -3.046 1.00 10.00 H new ATOM 0 HZ1 LYS B 6 31.474 -13.174 -4.566 1.00 10.00 H new ATOM 0 HZ2 LYS B 6 30.167 -12.856 -3.530 1.00 10.00 H new ATOM 0 HZ3 LYS B 6 30.242 -12.112 -5.055 1.00 10.00 H new ATOM 625 N THR B 7 34.053 -6.387 -4.947 1.00 10.00 N ATOM 626 CA THR B 7 34.682 -6.028 -6.223 1.00 10.00 C ATOM 627 C THR B 7 35.174 -7.328 -6.873 1.00 10.00 C ATOM 628 O THR B 7 35.318 -8.365 -6.229 1.00 10.00 O ATOM 629 CB THR B 7 35.846 -5.039 -6.035 1.00 10.00 C ATOM 630 OG1 THR B 7 36.914 -5.714 -5.385 1.00 10.00 O ATOM 631 CG2 THR B 7 35.450 -3.803 -5.217 1.00 10.00 C ATOM 0 H THR B 7 34.707 -6.608 -4.196 1.00 10.00 H new ATOM 0 HA THR B 7 33.955 -5.524 -6.860 1.00 10.00 H new ATOM 0 HB THR B 7 36.145 -4.685 -7.022 1.00 10.00 H new ATOM 0 HG1 THR B 7 37.674 -5.792 -5.999 1.00 10.00 H new ATOM 0 HG21 THR B 7 36.311 -3.142 -5.117 1.00 10.00 H new ATOM 0 HG22 THR B 7 34.643 -3.274 -5.724 1.00 10.00 H new ATOM 0 HG23 THR B 7 35.115 -4.114 -4.228 1.00 10.00 H new ATOM 639 N LEU B 8 35.503 -7.229 -8.156 1.00 10.00 N ATOM 640 CA LEU B 8 35.871 -8.409 -8.957 1.00 10.00 C ATOM 641 C LEU B 8 37.299 -8.920 -8.718 1.00 10.00 C ATOM 642 O LEU B 8 37.641 -10.039 -9.090 1.00 10.00 O ATOM 643 CB LEU B 8 35.563 -8.143 -10.433 1.00 10.00 C ATOM 644 CG LEU B 8 34.101 -7.700 -10.627 1.00 10.00 C ATOM 645 CD1 LEU B 8 33.822 -7.465 -12.109 1.00 10.00 C ATOM 646 CD2 LEU B 8 33.081 -8.684 -10.036 1.00 10.00 C ATOM 0 H LEU B 8 35.525 -6.349 -8.671 1.00 10.00 H new ATOM 0 HA LEU B 8 35.252 -9.239 -8.615 1.00 10.00 H new ATOM 0 HB2 LEU B 8 36.233 -7.372 -10.813 1.00 10.00 H new ATOM 0 HB3 LEU B 8 35.752 -9.045 -11.015 1.00 10.00 H new ATOM 0 HG LEU B 8 33.978 -6.769 -10.074 1.00 10.00 H new ATOM 0 HD11 LEU B 8 32.786 -7.152 -12.239 1.00 10.00 H new ATOM 0 HD12 LEU B 8 34.486 -6.687 -12.485 1.00 10.00 H new ATOM 0 HD13 LEU B 8 33.994 -8.388 -12.662 1.00 10.00 H new ATOM 0 HD21 LEU B 8 32.072 -8.309 -10.208 1.00 10.00 H new ATOM 0 HD22 LEU B 8 33.194 -9.657 -10.515 1.00 10.00 H new ATOM 0 HD23 LEU B 8 33.252 -8.785 -8.964 1.00 10.00 H new ATOM 658 N THR B 9 38.108 -8.061 -8.106 1.00 10.00 N ATOM 659 CA THR B 9 39.420 -8.458 -7.553 1.00 10.00 C ATOM 660 C THR B 9 39.248 -9.516 -6.453 1.00 10.00 C ATOM 661 O THR B 9 40.075 -10.419 -6.325 1.00 10.00 O ATOM 662 CB THR B 9 40.185 -7.254 -6.986 1.00 10.00 C ATOM 663 OG1 THR B 9 39.359 -6.512 -6.085 1.00 10.00 O ATOM 664 CG2 THR B 9 40.712 -6.350 -8.103 1.00 10.00 C ATOM 0 H THR B 9 37.885 -7.074 -7.974 1.00 10.00 H new ATOM 0 HA THR B 9 39.999 -8.879 -8.375 1.00 10.00 H new ATOM 0 HB THR B 9 41.044 -7.636 -6.435 1.00 10.00 H new ATOM 0 HG1 THR B 9 39.863 -5.749 -5.732 1.00 10.00 H new ATOM 0 HG21 THR B 9 41.248 -5.507 -7.667 1.00 10.00 H new ATOM 0 HG22 THR B 9 41.387 -6.918 -8.743 1.00 10.00 H new ATOM 0 HG23 THR B 9 39.876 -5.980 -8.696 1.00 10.00 H new ATOM 672 N GLY B 10 38.141 -9.396 -5.711 1.00 10.00 N ATOM 673 CA GLY B 10 37.808 -10.307 -4.602 1.00 10.00 C ATOM 674 C GLY B 10 37.638 -9.552 -3.279 1.00 10.00 C ATOM 675 O GLY B 10 36.975 -10.043 -2.366 1.00 10.00 O ATOM 0 H GLY B 10 37.447 -8.664 -5.861 1.00 10.00 H new ATOM 0 HA2 GLY B 10 36.888 -10.843 -4.836 1.00 10.00 H new ATOM 0 HA3 GLY B 10 38.595 -11.054 -4.496 1.00 10.00 H new ATOM 679 N LYS B 11 38.274 -8.387 -3.184 1.00 10.00 N ATOM 680 CA LYS B 11 38.166 -7.517 -1.994 1.00 10.00 C ATOM 681 C LYS B 11 36.695 -7.113 -1.782 1.00 10.00 C ATOM 682 O LYS B 11 35.920 -6.959 -2.726 1.00 10.00 O ATOM 683 CB LYS B 11 39.034 -6.270 -2.173 1.00 10.00 C ATOM 684 CG LYS B 11 39.307 -5.595 -0.819 1.00 10.00 C ATOM 685 CD LYS B 11 39.098 -4.078 -0.857 1.00 10.00 C ATOM 686 CE LYS B 11 40.133 -3.322 -1.695 1.00 10.00 C ATOM 687 NZ LYS B 11 41.454 -3.301 -1.049 1.00 10.00 N ATOM 0 H LYS B 11 38.876 -8.013 -3.918 1.00 10.00 H new ATOM 0 HA LYS B 11 38.517 -8.063 -1.118 1.00 10.00 H new ATOM 0 HB2 LYS B 11 39.978 -6.543 -2.645 1.00 10.00 H new ATOM 0 HB3 LYS B 11 38.535 -5.567 -2.841 1.00 10.00 H new ATOM 0 HG2 LYS B 11 38.651 -6.028 -0.064 1.00 10.00 H new ATOM 0 HG3 LYS B 11 40.331 -5.808 -0.512 1.00 10.00 H new ATOM 0 HD2 LYS B 11 38.104 -3.869 -1.253 1.00 10.00 H new ATOM 0 HD3 LYS B 11 39.122 -3.694 0.163 1.00 10.00 H new ATOM 0 HE2 LYS B 11 40.216 -3.789 -2.676 1.00 10.00 H new ATOM 0 HE3 LYS B 11 39.792 -2.299 -1.857 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 42.117 -2.751 -1.632 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 41.374 -2.863 -0.109 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 41.807 -4.274 -0.948 1.00 10.00 H new ATOM 701 N THR B 12 36.360 -6.926 -0.509 1.00 10.00 N ATOM 702 CA THR B 12 35.005 -6.511 -0.097 1.00 10.00 C ATOM 703 C THR B 12 35.111 -5.197 0.682 1.00 10.00 C ATOM 704 O THR B 12 35.814 -5.099 1.676 1.00 10.00 O ATOM 705 CB THR B 12 34.359 -7.603 0.772 1.00 10.00 C ATOM 706 OG1 THR B 12 34.231 -8.795 -0.006 1.00 10.00 O ATOM 707 CG2 THR B 12 32.979 -7.212 1.313 1.00 10.00 C ATOM 0 H THR B 12 37.008 -7.054 0.268 1.00 10.00 H new ATOM 0 HA THR B 12 34.377 -6.364 -0.976 1.00 10.00 H new ATOM 0 HB THR B 12 35.009 -7.752 1.634 1.00 10.00 H new ATOM 0 HG1 THR B 12 33.822 -9.499 0.539 1.00 10.00 H new ATOM 0 HG21 THR B 12 32.581 -8.027 1.917 1.00 10.00 H new ATOM 0 HG22 THR B 12 33.069 -6.316 1.927 1.00 10.00 H new ATOM 0 HG23 THR B 12 32.304 -7.015 0.480 1.00 10.00 H new ATOM 715 N ILE B 13 34.285 -4.248 0.243 1.00 10.00 N ATOM 716 CA ILE B 13 34.171 -2.942 0.911 1.00 10.00 C ATOM 717 C ILE B 13 33.002 -3.050 1.901 1.00 10.00 C ATOM 718 O ILE B 13 31.920 -3.497 1.544 1.00 10.00 O ATOM 719 CB ILE B 13 33.846 -1.811 -0.095 1.00 10.00 C ATOM 720 CG1 ILE B 13 34.457 -1.988 -1.497 1.00 10.00 C ATOM 721 CG2 ILE B 13 34.224 -0.445 0.501 1.00 10.00 C ATOM 722 CD1 ILE B 13 35.974 -2.205 -1.549 1.00 10.00 C ATOM 0 H ILE B 13 33.682 -4.355 -0.573 1.00 10.00 H new ATOM 0 HA ILE B 13 35.117 -2.701 1.397 1.00 10.00 H new ATOM 0 HB ILE B 13 32.769 -1.865 -0.255 1.00 10.00 H new ATOM 0 HG12 ILE B 13 33.972 -2.838 -1.978 1.00 10.00 H new ATOM 0 HG13 ILE B 13 34.216 -1.106 -2.090 1.00 10.00 H new ATOM 0 HG21 ILE B 13 33.991 0.342 -0.216 1.00 10.00 H new ATOM 0 HG22 ILE B 13 33.659 -0.279 1.418 1.00 10.00 H new ATOM 0 HG23 ILE B 13 35.291 -0.428 0.724 1.00 10.00 H new ATOM 0 HD11 ILE B 13 36.290 -2.317 -2.586 1.00 10.00 H new ATOM 0 HD12 ILE B 13 36.480 -1.347 -1.106 1.00 10.00 H new ATOM 0 HD13 ILE B 13 36.232 -3.106 -0.992 1.00 10.00 H new ATOM 734 N THR B 14 33.258 -2.612 3.131 1.00 10.00 N ATOM 735 CA THR B 14 32.184 -2.486 4.132 1.00 10.00 C ATOM 736 C THR B 14 31.823 -1.003 4.234 1.00 10.00 C ATOM 737 O THR B 14 32.685 -0.149 4.414 1.00 10.00 O ATOM 738 CB THR B 14 32.635 -3.025 5.499 1.00 10.00 C ATOM 739 OG1 THR B 14 32.984 -4.404 5.371 1.00 10.00 O ATOM 740 CG2 THR B 14 31.543 -2.879 6.561 1.00 10.00 C ATOM 0 H THR B 14 34.183 -2.340 3.463 1.00 10.00 H new ATOM 0 HA THR B 14 31.318 -3.073 3.827 1.00 10.00 H new ATOM 0 HB THR B 14 33.496 -2.439 5.821 1.00 10.00 H new ATOM 0 HG1 THR B 14 32.168 -4.945 5.322 1.00 10.00 H new ATOM 0 HG21 THR B 14 31.904 -3.272 7.511 1.00 10.00 H new ATOM 0 HG22 THR B 14 31.288 -1.826 6.678 1.00 10.00 H new ATOM 0 HG23 THR B 14 30.658 -3.435 6.251 1.00 10.00 H new ATOM 748 N LEU B 15 30.518 -0.755 4.159 1.00 10.00 N ATOM 749 CA LEU B 15 29.981 0.610 4.280 1.00 10.00 C ATOM 750 C LEU B 15 28.936 0.704 5.393 1.00 10.00 C ATOM 751 O LEU B 15 28.170 -0.226 5.615 1.00 10.00 O ATOM 752 CB LEU B 15 29.349 1.040 2.954 1.00 10.00 C ATOM 753 CG LEU B 15 30.328 1.049 1.774 1.00 10.00 C ATOM 754 CD1 LEU B 15 29.552 1.280 0.480 1.00 10.00 C ATOM 755 CD2 LEU B 15 31.391 2.138 1.942 1.00 10.00 C ATOM 0 H LEU B 15 29.810 -1.475 4.016 1.00 10.00 H new ATOM 0 HA LEU B 15 30.809 1.273 4.530 1.00 10.00 H new ATOM 0 HB2 LEU B 15 28.522 0.369 2.722 1.00 10.00 H new ATOM 0 HB3 LEU B 15 28.927 2.038 3.071 1.00 10.00 H new ATOM 0 HG LEU B 15 30.837 0.086 1.738 1.00 10.00 H new ATOM 0 HD11 LEU B 15 30.243 1.287 -0.363 1.00 10.00 H new ATOM 0 HD12 LEU B 15 28.824 0.480 0.345 1.00 10.00 H new ATOM 0 HD13 LEU B 15 29.034 2.238 0.532 1.00 10.00 H new ATOM 0 HD21 LEU B 15 32.070 2.119 1.089 1.00 10.00 H new ATOM 0 HD22 LEU B 15 30.907 3.113 1.998 1.00 10.00 H new ATOM 0 HD23 LEU B 15 31.954 1.959 2.858 1.00 10.00 H new ATOM 767 N GLU B 16 28.962 1.854 6.067 1.00 10.00 N ATOM 768 CA GLU B 16 27.934 2.244 7.047 1.00 10.00 C ATOM 769 C GLU B 16 26.967 3.210 6.357 1.00 10.00 C ATOM 770 O GLU B 16 27.329 4.317 5.985 1.00 10.00 O ATOM 771 CB GLU B 16 28.600 2.924 8.252 1.00 10.00 C ATOM 772 CG GLU B 16 27.586 3.406 9.299 1.00 10.00 C ATOM 773 CD GLU B 16 26.729 2.274 9.877 1.00 10.00 C ATOM 774 OE1 GLU B 16 27.286 1.186 10.135 1.00 10.00 O ATOM 775 OE2 GLU B 16 25.522 2.533 10.061 1.00 10.00 O ATOM 0 H GLU B 16 29.699 2.549 5.951 1.00 10.00 H new ATOM 0 HA GLU B 16 27.393 1.368 7.406 1.00 10.00 H new ATOM 0 HB2 GLU B 16 29.294 2.226 8.720 1.00 10.00 H new ATOM 0 HB3 GLU B 16 29.188 3.773 7.905 1.00 10.00 H new ATOM 0 HG2 GLU B 16 28.119 3.900 10.111 1.00 10.00 H new ATOM 0 HG3 GLU B 16 26.933 4.152 8.846 1.00 10.00 H new ATOM 782 N VAL B 17 25.751 2.703 6.136 1.00 10.00 N ATOM 783 CA VAL B 17 24.728 3.437 5.377 1.00 10.00 C ATOM 784 C VAL B 17 23.375 3.459 6.113 1.00 10.00 C ATOM 785 O VAL B 17 23.167 2.826 7.139 1.00 10.00 O ATOM 786 CB VAL B 17 24.565 2.832 3.966 1.00 10.00 C ATOM 787 CG1 VAL B 17 25.862 2.891 3.155 1.00 10.00 C ATOM 788 CG2 VAL B 17 24.002 1.409 4.021 1.00 10.00 C ATOM 0 H VAL B 17 25.449 1.788 6.471 1.00 10.00 H new ATOM 0 HA VAL B 17 25.067 4.469 5.283 1.00 10.00 H new ATOM 0 HB VAL B 17 23.837 3.453 3.443 1.00 10.00 H new ATOM 0 HG11 VAL B 17 25.696 2.454 2.171 1.00 10.00 H new ATOM 0 HG12 VAL B 17 26.174 3.929 3.043 1.00 10.00 H new ATOM 0 HG13 VAL B 17 26.641 2.332 3.674 1.00 10.00 H new ATOM 0 HG21 VAL B 17 23.902 1.018 3.009 1.00 10.00 H new ATOM 0 HG22 VAL B 17 24.678 0.772 4.591 1.00 10.00 H new ATOM 0 HG23 VAL B 17 23.024 1.423 4.503 1.00 10.00 H new ATOM 798 N GLU B 18 22.451 4.172 5.490 1.00 10.00 N ATOM 799 CA GLU B 18 21.024 4.182 5.839 1.00 10.00 C ATOM 800 C GLU B 18 20.229 3.751 4.603 1.00 10.00 C ATOM 801 O GLU B 18 20.616 4.069 3.483 1.00 10.00 O ATOM 802 CB GLU B 18 20.615 5.600 6.259 1.00 10.00 C ATOM 803 CG GLU B 18 21.344 6.076 7.525 1.00 10.00 C ATOM 804 CD GLU B 18 21.147 5.168 8.748 1.00 10.00 C ATOM 805 OE1 GLU B 18 20.117 4.458 8.795 1.00 10.00 O ATOM 806 OE2 GLU B 18 22.033 5.217 9.628 1.00 10.00 O ATOM 0 H GLU B 18 22.671 4.781 4.702 1.00 10.00 H new ATOM 0 HA GLU B 18 20.825 3.500 6.666 1.00 10.00 H new ATOM 0 HB2 GLU B 18 20.824 6.291 5.442 1.00 10.00 H new ATOM 0 HB3 GLU B 18 19.539 5.627 6.432 1.00 10.00 H new ATOM 0 HG2 GLU B 18 22.410 6.150 7.310 1.00 10.00 H new ATOM 0 HG3 GLU B 18 20.999 7.080 7.773 1.00 10.00 H new ATOM 813 N SER B 19 19.048 3.165 4.835 1.00 10.00 N ATOM 814 CA SER B 19 18.132 2.780 3.735 1.00 10.00 C ATOM 815 C SER B 19 17.714 3.977 2.868 1.00 10.00 C ATOM 816 O SER B 19 17.514 3.851 1.660 1.00 10.00 O ATOM 817 CB SER B 19 16.860 2.124 4.273 1.00 10.00 C ATOM 818 OG SER B 19 17.201 0.974 5.047 1.00 10.00 O ATOM 0 H SER B 19 18.698 2.945 5.767 1.00 10.00 H new ATOM 0 HA SER B 19 18.694 2.075 3.123 1.00 10.00 H new ATOM 0 HB2 SER B 19 16.304 2.834 4.885 1.00 10.00 H new ATOM 0 HB3 SER B 19 16.209 1.838 3.447 1.00 10.00 H new ATOM 0 HG SER B 19 16.384 0.557 5.391 1.00 10.00 H new ATOM 824 N SER B 20 17.664 5.144 3.512 1.00 10.00 N ATOM 825 CA SER B 20 17.357 6.434 2.866 1.00 10.00 C ATOM 826 C SER B 20 18.469 6.988 1.961 1.00 10.00 C ATOM 827 O SER B 20 18.221 7.910 1.186 1.00 10.00 O ATOM 828 CB SER B 20 16.973 7.478 3.920 1.00 10.00 C ATOM 829 OG SER B 20 17.976 7.547 4.943 1.00 10.00 O ATOM 0 H SER B 20 17.838 5.227 4.514 1.00 10.00 H new ATOM 0 HA SER B 20 16.517 6.228 2.203 1.00 10.00 H new ATOM 0 HB2 SER B 20 16.857 8.454 3.449 1.00 10.00 H new ATOM 0 HB3 SER B 20 16.010 7.221 4.362 1.00 10.00 H new ATOM 0 HG SER B 20 17.719 8.219 5.609 1.00 10.00 H new ATOM 835 N ASP B 21 19.664 6.405 2.026 1.00 10.00 N ATOM 836 CA ASP B 21 20.787 6.843 1.173 1.00 10.00 C ATOM 837 C ASP B 21 20.492 6.592 -0.303 1.00 10.00 C ATOM 838 O ASP B 21 20.055 5.517 -0.697 1.00 10.00 O ATOM 839 CB ASP B 21 22.089 6.133 1.552 1.00 10.00 C ATOM 840 CG ASP B 21 22.622 6.575 2.921 1.00 10.00 C ATOM 841 OD1 ASP B 21 22.258 7.680 3.378 1.00 10.00 O ATOM 842 OD2 ASP B 21 23.465 5.828 3.448 1.00 10.00 O ATOM 0 H ASP B 21 19.888 5.632 2.653 1.00 10.00 H new ATOM 0 HA ASP B 21 20.906 7.914 1.337 1.00 10.00 H new ATOM 0 HB2 ASP B 21 21.922 5.056 1.561 1.00 10.00 H new ATOM 0 HB3 ASP B 21 22.843 6.333 0.790 1.00 10.00 H new ATOM 847 N THR B 22 20.730 7.651 -1.081 1.00 10.00 N ATOM 848 CA THR B 22 20.642 7.572 -2.548 1.00 10.00 C ATOM 849 C THR B 22 21.815 6.713 -3.050 1.00 10.00 C ATOM 850 O THR B 22 22.865 6.642 -2.429 1.00 10.00 O ATOM 851 CB THR B 22 20.698 8.964 -3.205 1.00 10.00 C ATOM 852 OG1 THR B 22 21.988 9.553 -3.001 1.00 10.00 O ATOM 853 CG2 THR B 22 19.582 9.882 -2.691 1.00 10.00 C ATOM 0 H THR B 22 20.985 8.572 -0.724 1.00 10.00 H new ATOM 0 HA THR B 22 19.685 7.127 -2.820 1.00 10.00 H new ATOM 0 HB THR B 22 20.536 8.839 -4.276 1.00 10.00 H new ATOM 0 HG1 THR B 22 22.015 10.437 -3.424 1.00 10.00 H new ATOM 0 HG21 THR B 22 19.657 10.854 -3.179 1.00 10.00 H new ATOM 0 HG22 THR B 22 18.613 9.437 -2.915 1.00 10.00 H new ATOM 0 HG23 THR B 22 19.683 10.009 -1.613 1.00 10.00 H new ATOM 861 N ILE B 23 21.614 6.091 -4.214 1.00 10.00 N ATOM 862 CA ILE B 23 22.677 5.288 -4.859 1.00 10.00 C ATOM 863 C ILE B 23 23.921 6.140 -5.149 1.00 10.00 C ATOM 864 O ILE B 23 25.045 5.728 -4.856 1.00 10.00 O ATOM 865 CB ILE B 23 22.133 4.621 -6.139 1.00 10.00 C ATOM 866 CG1 ILE B 23 20.963 3.679 -5.817 1.00 10.00 C ATOM 867 CG2 ILE B 23 23.213 3.916 -6.974 1.00 10.00 C ATOM 868 CD1 ILE B 23 21.269 2.568 -4.802 1.00 10.00 C ATOM 0 H ILE B 23 20.736 6.122 -4.732 1.00 10.00 H new ATOM 0 HA ILE B 23 22.985 4.502 -4.170 1.00 10.00 H new ATOM 0 HB ILE B 23 21.761 5.431 -6.767 1.00 10.00 H new ATOM 0 HG12 ILE B 23 20.133 4.275 -5.438 1.00 10.00 H new ATOM 0 HG13 ILE B 23 20.626 3.217 -6.745 1.00 10.00 H new ATOM 0 HG21 ILE B 23 22.756 3.471 -7.858 1.00 10.00 H new ATOM 0 HG22 ILE B 23 23.967 4.641 -7.281 1.00 10.00 H new ATOM 0 HG23 ILE B 23 23.683 3.135 -6.376 1.00 10.00 H new ATOM 0 HD11 ILE B 23 20.377 1.961 -4.647 1.00 10.00 H new ATOM 0 HD12 ILE B 23 22.074 1.939 -5.183 1.00 10.00 H new ATOM 0 HD13 ILE B 23 21.574 3.014 -3.855 1.00 10.00 H new ATOM 880 N ASP B 24 23.670 7.371 -5.584 1.00 10.00 N ATOM 881 CA ASP B 24 24.737 8.360 -5.824 1.00 10.00 C ATOM 882 C ASP B 24 25.559 8.618 -4.550 1.00 10.00 C ATOM 883 O ASP B 24 26.787 8.671 -4.596 1.00 10.00 O ATOM 884 CB ASP B 24 24.112 9.663 -6.334 1.00 10.00 C ATOM 885 CG ASP B 24 25.179 10.732 -6.597 1.00 10.00 C ATOM 886 OD1 ASP B 24 26.029 10.480 -7.474 1.00 10.00 O ATOM 887 OD2 ASP B 24 25.114 11.754 -5.886 1.00 10.00 O ATOM 0 H ASP B 24 22.731 7.718 -5.781 1.00 10.00 H new ATOM 0 HA ASP B 24 25.419 7.963 -6.576 1.00 10.00 H new ATOM 0 HB2 ASP B 24 23.558 9.467 -7.252 1.00 10.00 H new ATOM 0 HB3 ASP B 24 23.395 10.035 -5.602 1.00 10.00 H new ATOM 892 N ASN B 25 24.854 8.695 -3.422 1.00 10.00 N ATOM 893 CA ASN B 25 25.465 8.881 -2.096 1.00 10.00 C ATOM 894 C ASN B 25 26.349 7.687 -1.697 1.00 10.00 C ATOM 895 O ASN B 25 27.445 7.873 -1.173 1.00 10.00 O ATOM 896 CB ASN B 25 24.350 9.093 -1.073 1.00 10.00 C ATOM 897 CG ASN B 25 24.868 9.217 0.352 1.00 10.00 C ATOM 898 OD1 ASN B 25 24.336 8.384 1.204 1.00 10.00 O flip ATOM 899 ND2 ASN B 25 25.736 10.014 0.682 1.00 10.00 N flip ATOM 0 H ASN B 25 23.836 8.630 -3.397 1.00 10.00 H new ATOM 0 HA ASN B 25 26.117 9.754 -2.128 1.00 10.00 H new ATOM 0 HB2 ASN B 25 23.794 9.994 -1.331 1.00 10.00 H new ATOM 0 HB3 ASN B 25 23.650 8.259 -1.128 1.00 10.00 H new ATOM 0 HD21 ASN B 25 26.132 10.652 -0.008 1.00 10.00 H new ATOM 0 HD22 ASN B 25 26.064 10.040 1.648 1.00 10.00 H new ATOM 906 N VAL B 26 25.890 6.479 -2.025 1.00 10.00 N ATOM 907 CA VAL B 26 26.660 5.236 -1.800 1.00 10.00 C ATOM 908 C VAL B 26 27.955 5.244 -2.626 1.00 10.00 C ATOM 909 O VAL B 26 29.034 4.989 -2.098 1.00 10.00 O ATOM 910 CB VAL B 26 25.802 3.995 -2.122 1.00 10.00 C ATOM 911 CG1 VAL B 26 26.601 2.683 -2.093 1.00 10.00 C ATOM 912 CG2 VAL B 26 24.660 3.871 -1.114 1.00 10.00 C ATOM 0 H VAL B 26 24.977 6.325 -2.454 1.00 10.00 H new ATOM 0 HA VAL B 26 26.934 5.188 -0.746 1.00 10.00 H new ATOM 0 HB VAL B 26 25.427 4.144 -3.134 1.00 10.00 H new ATOM 0 HG11 VAL B 26 25.940 1.849 -2.328 1.00 10.00 H new ATOM 0 HG12 VAL B 26 27.403 2.729 -2.830 1.00 10.00 H new ATOM 0 HG13 VAL B 26 27.028 2.539 -1.101 1.00 10.00 H new ATOM 0 HG21 VAL B 26 24.060 2.992 -1.350 1.00 10.00 H new ATOM 0 HG22 VAL B 26 25.071 3.771 -0.109 1.00 10.00 H new ATOM 0 HG23 VAL B 26 24.033 4.762 -1.163 1.00 10.00 H new ATOM 922 N LYS B 27 27.827 5.551 -3.915 1.00 10.00 N ATOM 923 CA LYS B 27 28.975 5.604 -4.838 1.00 10.00 C ATOM 924 C LYS B 27 30.043 6.611 -4.383 1.00 10.00 C ATOM 925 O LYS B 27 31.239 6.326 -4.435 1.00 10.00 O ATOM 926 CB LYS B 27 28.506 5.948 -6.251 1.00 10.00 C ATOM 927 CG LYS B 27 27.658 4.822 -6.838 1.00 10.00 C ATOM 928 CD LYS B 27 27.205 5.169 -8.254 1.00 10.00 C ATOM 929 CE LYS B 27 26.412 4.004 -8.848 1.00 10.00 C ATOM 930 NZ LYS B 27 25.927 4.336 -10.192 1.00 10.00 N ATOM 0 H LYS B 27 26.933 5.770 -4.354 1.00 10.00 H new ATOM 0 HA LYS B 27 29.433 4.615 -4.835 1.00 10.00 H new ATOM 0 HB2 LYS B 27 27.927 6.871 -6.231 1.00 10.00 H new ATOM 0 HB3 LYS B 27 29.370 6.128 -6.891 1.00 10.00 H new ATOM 0 HG2 LYS B 27 28.233 3.896 -6.852 1.00 10.00 H new ATOM 0 HG3 LYS B 27 26.788 4.648 -6.205 1.00 10.00 H new ATOM 0 HD2 LYS B 27 26.589 6.068 -8.238 1.00 10.00 H new ATOM 0 HD3 LYS B 27 28.071 5.387 -8.879 1.00 10.00 H new ATOM 0 HE2 LYS B 27 27.041 3.115 -8.893 1.00 10.00 H new ATOM 0 HE3 LYS B 27 25.568 3.765 -8.201 1.00 10.00 H new ATOM 0 HZ1 LYS B 27 25.217 3.636 -10.488 1.00 10.00 H new ATOM 0 HZ2 LYS B 27 25.497 5.283 -10.182 1.00 10.00 H new ATOM 0 HZ3 LYS B 27 26.723 4.325 -10.861 1.00 10.00 H new ATOM 944 N SER B 28 29.567 7.721 -3.814 1.00 10.00 N ATOM 945 CA SER B 28 30.427 8.730 -3.163 1.00 10.00 C ATOM 946 C SER B 28 31.155 8.167 -1.927 1.00 10.00 C ATOM 947 O SER B 28 32.364 8.328 -1.778 1.00 10.00 O ATOM 948 CB SER B 28 29.596 9.950 -2.759 1.00 10.00 C ATOM 949 OG SER B 28 30.472 10.952 -2.240 1.00 10.00 O ATOM 0 H SER B 28 28.574 7.952 -3.788 1.00 10.00 H new ATOM 0 HA SER B 28 31.185 9.022 -3.889 1.00 10.00 H new ATOM 0 HB2 SER B 28 29.049 10.336 -3.619 1.00 10.00 H new ATOM 0 HB3 SER B 28 28.856 9.671 -2.009 1.00 10.00 H new ATOM 0 HG SER B 28 29.950 11.739 -1.979 1.00 10.00 H new ATOM 955 N LYS B 29 30.445 7.331 -1.164 1.00 10.00 N ATOM 956 CA LYS B 29 31.025 6.590 -0.022 1.00 10.00 C ATOM 957 C LYS B 29 32.106 5.586 -0.469 1.00 10.00 C ATOM 958 O LYS B 29 33.114 5.412 0.210 1.00 10.00 O ATOM 959 CB LYS B 29 29.952 5.827 0.763 1.00 10.00 C ATOM 960 CG LYS B 29 28.954 6.741 1.475 1.00 10.00 C ATOM 961 CD LYS B 29 27.920 5.887 2.212 1.00 10.00 C ATOM 962 CE LYS B 29 26.837 6.719 2.900 1.00 10.00 C ATOM 963 NZ LYS B 29 27.352 7.483 4.047 1.00 10.00 N ATOM 0 H LYS B 29 29.454 7.144 -1.314 1.00 10.00 H new ATOM 0 HA LYS B 29 31.480 7.345 0.618 1.00 10.00 H new ATOM 0 HB2 LYS B 29 29.410 5.172 0.081 1.00 10.00 H new ATOM 0 HB3 LYS B 29 30.438 5.188 1.500 1.00 10.00 H new ATOM 0 HG2 LYS B 29 29.476 7.389 2.179 1.00 10.00 H new ATOM 0 HG3 LYS B 29 28.458 7.389 0.753 1.00 10.00 H new ATOM 0 HD2 LYS B 29 27.450 5.204 1.504 1.00 10.00 H new ATOM 0 HD3 LYS B 29 28.428 5.275 2.957 1.00 10.00 H new ATOM 0 HE2 LYS B 29 26.399 7.407 2.177 1.00 10.00 H new ATOM 0 HE3 LYS B 29 26.037 6.060 3.237 1.00 10.00 H new ATOM 0 HZ1 LYS B 29 26.578 8.029 4.476 1.00 10.00 H new ATOM 0 HZ2 LYS B 29 27.746 6.828 4.752 1.00 10.00 H new ATOM 0 HZ3 LYS B 29 28.097 8.133 3.725 1.00 10.00 H new ATOM 977 N ILE B 30 31.917 5.008 -1.657 1.00 10.00 N ATOM 978 CA ILE B 30 32.903 4.105 -2.295 1.00 10.00 C ATOM 979 C ILE B 30 34.156 4.896 -2.703 1.00 10.00 C ATOM 980 O ILE B 30 35.279 4.445 -2.500 1.00 10.00 O ATOM 981 CB ILE B 30 32.283 3.351 -3.490 1.00 10.00 C ATOM 982 CG1 ILE B 30 31.225 2.365 -2.971 1.00 10.00 C ATOM 983 CG2 ILE B 30 33.341 2.641 -4.362 1.00 10.00 C ATOM 984 CD1 ILE B 30 30.409 1.648 -4.056 1.00 10.00 C ATOM 0 H ILE B 30 31.074 5.148 -2.214 1.00 10.00 H new ATOM 0 HA ILE B 30 33.203 3.349 -1.570 1.00 10.00 H new ATOM 0 HB ILE B 30 31.807 4.082 -4.143 1.00 10.00 H new ATOM 0 HG12 ILE B 30 31.722 1.614 -2.357 1.00 10.00 H new ATOM 0 HG13 ILE B 30 30.538 2.905 -2.320 1.00 10.00 H new ATOM 0 HG21 ILE B 30 32.847 2.127 -5.187 1.00 10.00 H new ATOM 0 HG22 ILE B 30 34.039 3.378 -4.759 1.00 10.00 H new ATOM 0 HG23 ILE B 30 33.884 1.916 -3.756 1.00 10.00 H new ATOM 0 HD11 ILE B 30 29.691 0.975 -3.587 1.00 10.00 H new ATOM 0 HD12 ILE B 30 29.876 2.385 -4.657 1.00 10.00 H new ATOM 0 HD13 ILE B 30 31.079 1.074 -4.696 1.00 10.00 H new ATOM 996 N GLN B 31 33.930 6.063 -3.305 1.00 10.00 N ATOM 997 CA GLN B 31 35.020 6.983 -3.669 1.00 10.00 C ATOM 998 C GLN B 31 35.824 7.397 -2.428 1.00 10.00 C ATOM 999 O GLN B 31 37.052 7.399 -2.467 1.00 10.00 O ATOM 1000 CB GLN B 31 34.417 8.214 -4.344 1.00 10.00 C ATOM 1001 CG GLN B 31 35.504 9.174 -4.832 1.00 10.00 C ATOM 1002 CD GLN B 31 34.914 10.415 -5.493 1.00 10.00 C ATOM 1003 OE1 GLN B 31 33.829 10.897 -5.190 1.00 10.00 O ATOM 1004 NE2 GLN B 31 35.630 10.929 -6.461 1.00 10.00 N ATOM 0 H GLN B 31 33.000 6.399 -3.554 1.00 10.00 H new ATOM 0 HA GLN B 31 35.703 6.480 -4.354 1.00 10.00 H new ATOM 0 HB2 GLN B 31 33.800 7.903 -5.187 1.00 10.00 H new ATOM 0 HB3 GLN B 31 33.762 8.731 -3.643 1.00 10.00 H new ATOM 0 HG2 GLN B 31 36.128 9.474 -3.990 1.00 10.00 H new ATOM 0 HG3 GLN B 31 36.152 8.658 -5.541 1.00 10.00 H new ATOM 0 HE21 GLN B 31 36.531 10.517 -6.702 1.00 10.00 H new ATOM 0 HE22 GLN B 31 35.286 11.741 -6.974 1.00 10.00 H new ATOM 1013 N ASP B 32 35.115 7.554 -1.313 1.00 10.00 N ATOM 1014 CA ASP B 32 35.724 7.882 -0.012 1.00 10.00 C ATOM 1015 C ASP B 32 36.603 6.780 0.590 1.00 10.00 C ATOM 1016 O ASP B 32 37.497 7.084 1.380 1.00 10.00 O ATOM 1017 CB ASP B 32 34.653 8.344 0.980 1.00 10.00 C ATOM 1018 CG ASP B 32 34.148 9.756 0.659 1.00 10.00 C ATOM 1019 OD1 ASP B 32 34.965 10.577 0.183 1.00 10.00 O ATOM 1020 OD2 ASP B 32 32.954 9.995 0.939 1.00 10.00 O ATOM 0 H ASP B 32 34.100 7.459 -1.279 1.00 10.00 H new ATOM 0 HA ASP B 32 36.414 8.701 -0.214 1.00 10.00 H new ATOM 0 HB2 ASP B 32 33.816 7.646 0.962 1.00 10.00 H new ATOM 0 HB3 ASP B 32 35.062 8.325 1.990 1.00 10.00 H new ATOM 1025 N LYS B 33 36.350 5.530 0.212 1.00 10.00 N ATOM 1026 CA LYS B 33 37.174 4.402 0.687 1.00 10.00 C ATOM 1027 C LYS B 33 38.197 3.888 -0.331 1.00 10.00 C ATOM 1028 O LYS B 33 39.334 3.593 0.019 1.00 10.00 O ATOM 1029 CB LYS B 33 36.308 3.226 1.149 1.00 10.00 C ATOM 1030 CG LYS B 33 35.620 3.503 2.491 1.00 10.00 C ATOM 1031 CD LYS B 33 35.216 2.201 3.194 1.00 10.00 C ATOM 1032 CE LYS B 33 36.449 1.405 3.638 1.00 10.00 C ATOM 1033 NZ LYS B 33 36.091 0.163 4.335 1.00 10.00 N ATOM 0 H LYS B 33 35.591 5.265 -0.415 1.00 10.00 H new ATOM 0 HA LYS B 33 37.733 4.817 1.526 1.00 10.00 H new ATOM 0 HB2 LYS B 33 35.552 3.015 0.392 1.00 10.00 H new ATOM 0 HB3 LYS B 33 36.928 2.334 1.238 1.00 10.00 H new ATOM 0 HG2 LYS B 33 36.291 4.072 3.134 1.00 10.00 H new ATOM 0 HG3 LYS B 33 34.736 4.119 2.328 1.00 10.00 H new ATOM 0 HD2 LYS B 33 34.596 2.430 4.061 1.00 10.00 H new ATOM 0 HD3 LYS B 33 34.611 1.594 2.521 1.00 10.00 H new ATOM 0 HE2 LYS B 33 37.058 1.167 2.766 1.00 10.00 H new ATOM 0 HE3 LYS B 33 37.061 2.024 4.294 1.00 10.00 H new ATOM 0 HZ1 LYS B 33 36.483 0.180 5.298 1.00 10.00 H new ATOM 0 HZ2 LYS B 33 35.056 0.079 4.384 1.00 10.00 H new ATOM 0 HZ3 LYS B 33 36.480 -0.650 3.817 1.00 10.00 H new ATOM 1047 N GLU B 34 37.798 3.848 -1.598 1.00 10.00 N ATOM 1048 CA GLU B 34 38.619 3.239 -2.660 1.00 10.00 C ATOM 1049 C GLU B 34 39.322 4.244 -3.575 1.00 10.00 C ATOM 1050 O GLU B 34 40.370 3.931 -4.144 1.00 10.00 O ATOM 1051 CB GLU B 34 37.753 2.281 -3.480 1.00 10.00 C ATOM 1052 CG GLU B 34 37.344 1.048 -2.666 1.00 10.00 C ATOM 1053 CD GLU B 34 38.541 0.211 -2.190 1.00 10.00 C ATOM 1054 OE1 GLU B 34 39.504 0.070 -2.976 1.00 10.00 O ATOM 1055 OE2 GLU B 34 38.427 -0.337 -1.072 1.00 10.00 O ATOM 0 H GLU B 34 36.910 4.229 -1.924 1.00 10.00 H new ATOM 0 HA GLU B 34 39.424 2.701 -2.159 1.00 10.00 H new ATOM 0 HB2 GLU B 34 36.860 2.802 -3.824 1.00 10.00 H new ATOM 0 HB3 GLU B 34 38.300 1.965 -4.368 1.00 10.00 H new ATOM 0 HG2 GLU B 34 36.766 1.369 -1.799 1.00 10.00 H new ATOM 0 HG3 GLU B 34 36.689 0.422 -3.272 1.00 10.00 H new ATOM 1062 N GLY B 35 38.687 5.404 -3.762 1.00 10.00 N ATOM 1063 CA GLY B 35 39.189 6.451 -4.672 1.00 10.00 C ATOM 1064 C GLY B 35 38.577 6.346 -6.079 1.00 10.00 C ATOM 1065 O GLY B 35 38.887 7.145 -6.957 1.00 10.00 O ATOM 0 H GLY B 35 37.815 5.648 -3.293 1.00 10.00 H new ATOM 0 HA2 GLY B 35 38.964 7.432 -4.253 1.00 10.00 H new ATOM 0 HA3 GLY B 35 40.274 6.377 -4.744 1.00 10.00 H new ATOM 1069 N ILE B 36 37.670 5.385 -6.245 1.00 10.00 N ATOM 1070 CA ILE B 36 36.967 5.136 -7.520 1.00 10.00 C ATOM 1071 C ILE B 36 35.980 6.284 -7.792 1.00 10.00 C ATOM 1072 O ILE B 36 35.061 6.507 -7.001 1.00 10.00 O ATOM 1073 CB ILE B 36 36.256 3.768 -7.533 1.00 10.00 C ATOM 1074 CG1 ILE B 36 37.254 2.642 -7.216 1.00 10.00 C ATOM 1075 CG2 ILE B 36 35.597 3.523 -8.905 1.00 10.00 C ATOM 1076 CD1 ILE B 36 36.609 1.266 -6.990 1.00 10.00 C ATOM 0 H ILE B 36 37.394 4.748 -5.498 1.00 10.00 H new ATOM 0 HA ILE B 36 37.707 5.103 -8.320 1.00 10.00 H new ATOM 0 HB ILE B 36 35.481 3.772 -6.766 1.00 10.00 H new ATOM 0 HG12 ILE B 36 37.968 2.565 -8.036 1.00 10.00 H new ATOM 0 HG13 ILE B 36 37.820 2.915 -6.325 1.00 10.00 H new ATOM 0 HG21 ILE B 36 35.098 2.554 -8.901 1.00 10.00 H new ATOM 0 HG22 ILE B 36 34.866 4.307 -9.102 1.00 10.00 H new ATOM 0 HG23 ILE B 36 36.361 3.535 -9.683 1.00 10.00 H new ATOM 0 HD11 ILE B 36 37.385 0.532 -6.773 1.00 10.00 H new ATOM 0 HD12 ILE B 36 35.917 1.322 -6.150 1.00 10.00 H new ATOM 0 HD13 ILE B 36 36.067 0.966 -7.887 1.00 10.00 H new ATOM 1088 N PRO B 37 36.106 6.908 -8.976 1.00 10.00 N ATOM 1089 CA PRO B 37 35.160 7.932 -9.450 1.00 10.00 C ATOM 1090 C PRO B 37 33.741 7.343 -9.543 1.00 10.00 C ATOM 1091 O PRO B 37 33.549 6.293 -10.157 1.00 10.00 O ATOM 1092 CB PRO B 37 35.677 8.326 -10.833 1.00 10.00 C ATOM 1093 CG PRO B 37 37.180 8.094 -10.715 1.00 10.00 C ATOM 1094 CD PRO B 37 37.269 6.818 -9.880 1.00 10.00 C ATOM 0 HA PRO B 37 35.099 8.788 -8.778 1.00 10.00 H new ATOM 0 HB2 PRO B 37 35.234 7.714 -11.619 1.00 10.00 H new ATOM 0 HB3 PRO B 37 35.446 9.365 -11.070 1.00 10.00 H new ATOM 0 HG2 PRO B 37 37.647 7.970 -11.692 1.00 10.00 H new ATOM 0 HG3 PRO B 37 37.680 8.931 -10.227 1.00 10.00 H new ATOM 0 HD2 PRO B 37 37.222 5.926 -10.505 1.00 10.00 H new ATOM 0 HD3 PRO B 37 38.205 6.768 -9.324 1.00 10.00 H new ATOM 1102 N PRO B 38 32.752 8.025 -8.935 1.00 10.00 N ATOM 1103 CA PRO B 38 31.337 7.595 -8.906 1.00 10.00 C ATOM 1104 C PRO B 38 30.720 7.376 -10.290 1.00 10.00 C ATOM 1105 O PRO B 38 30.055 6.388 -10.536 1.00 10.00 O ATOM 1106 CB PRO B 38 30.599 8.728 -8.190 1.00 10.00 C ATOM 1107 CG PRO B 38 31.664 9.291 -7.255 1.00 10.00 C ATOM 1108 CD PRO B 38 32.933 9.223 -8.102 1.00 10.00 C ATOM 0 HA PRO B 38 31.259 6.628 -8.410 1.00 10.00 H new ATOM 0 HB2 PRO B 38 30.238 9.481 -8.891 1.00 10.00 H new ATOM 0 HB3 PRO B 38 29.732 8.362 -7.641 1.00 10.00 H new ATOM 0 HG2 PRO B 38 31.435 10.313 -6.951 1.00 10.00 H new ATOM 0 HG3 PRO B 38 31.755 8.700 -6.344 1.00 10.00 H new ATOM 0 HD2 PRO B 38 33.051 10.118 -8.713 1.00 10.00 H new ATOM 0 HD3 PRO B 38 33.823 9.143 -7.478 1.00 10.00 H new ATOM 1116 N ASP B 39 31.125 8.240 -11.236 1.00 10.00 N ATOM 1117 CA ASP B 39 30.670 8.188 -12.637 1.00 10.00 C ATOM 1118 C ASP B 39 31.351 7.098 -13.486 1.00 10.00 C ATOM 1119 O ASP B 39 31.350 7.156 -14.712 1.00 10.00 O ATOM 1120 CB ASP B 39 30.847 9.586 -13.266 1.00 10.00 C ATOM 1121 CG ASP B 39 32.285 10.135 -13.255 1.00 10.00 C ATOM 1122 OD1 ASP B 39 33.038 9.805 -12.310 1.00 10.00 O ATOM 1123 OD2 ASP B 39 32.575 10.960 -14.144 1.00 10.00 O ATOM 0 H ASP B 39 31.781 8.999 -11.050 1.00 10.00 H new ATOM 0 HA ASP B 39 29.618 7.904 -12.627 1.00 10.00 H new ATOM 0 HB2 ASP B 39 30.498 9.549 -14.298 1.00 10.00 H new ATOM 0 HB3 ASP B 39 30.203 10.289 -12.737 1.00 10.00 H new ATOM 1128 N GLN B 40 31.998 6.153 -12.807 1.00 10.00 N ATOM 1129 CA GLN B 40 32.584 4.959 -13.442 1.00 10.00 C ATOM 1130 C GLN B 40 32.147 3.661 -12.725 1.00 10.00 C ATOM 1131 O GLN B 40 32.612 2.563 -13.017 1.00 10.00 O ATOM 1132 CB GLN B 40 34.105 5.119 -13.419 1.00 10.00 C ATOM 1133 CG GLN B 40 34.788 4.104 -14.345 1.00 10.00 C ATOM 1134 CD GLN B 40 36.274 3.911 -14.036 1.00 10.00 C ATOM 1135 OE1 GLN B 40 36.658 4.077 -12.787 1.00 10.00 O flip ATOM 1136 NE2 GLN B 40 37.078 3.594 -14.902 1.00 10.00 N flip ATOM 0 H GLN B 40 32.135 6.188 -11.797 1.00 10.00 H new ATOM 0 HA GLN B 40 32.229 4.874 -14.469 1.00 10.00 H new ATOM 0 HB2 GLN B 40 34.371 6.131 -13.726 1.00 10.00 H new ATOM 0 HB3 GLN B 40 34.471 4.989 -12.401 1.00 10.00 H new ATOM 0 HG2 GLN B 40 34.278 3.144 -14.260 1.00 10.00 H new ATOM 0 HG3 GLN B 40 34.678 4.433 -15.378 1.00 10.00 H new ATOM 0 HE21 GLN B 40 36.767 3.469 -15.865 1.00 10.00 H new ATOM 0 HE22 GLN B 40 38.059 3.455 -14.661 1.00 10.00 H new ATOM 1145 N GLN B 41 31.233 3.815 -11.772 1.00 10.00 N ATOM 1146 CA GLN B 41 30.719 2.696 -10.972 1.00 10.00 C ATOM 1147 C GLN B 41 29.340 2.286 -11.497 1.00 10.00 C ATOM 1148 O GLN B 41 28.484 3.121 -11.765 1.00 10.00 O ATOM 1149 CB GLN B 41 30.549 3.158 -9.525 1.00 10.00 C ATOM 1150 CG GLN B 41 31.844 3.660 -8.885 1.00 10.00 C ATOM 1151 CD GLN B 41 31.589 4.124 -7.451 1.00 10.00 C ATOM 1152 OE1 GLN B 41 30.861 3.523 -6.673 1.00 10.00 O ATOM 1153 NE2 GLN B 41 32.237 5.196 -7.062 1.00 10.00 N ATOM 0 H GLN B 41 30.824 4.717 -11.528 1.00 10.00 H new ATOM 0 HA GLN B 41 31.414 1.859 -11.034 1.00 10.00 H new ATOM 0 HB2 GLN B 41 29.805 3.954 -9.492 1.00 10.00 H new ATOM 0 HB3 GLN B 41 30.158 2.331 -8.932 1.00 10.00 H new ATOM 0 HG2 GLN B 41 32.590 2.865 -8.889 1.00 10.00 H new ATOM 0 HG3 GLN B 41 32.252 4.483 -9.472 1.00 10.00 H new ATOM 0 HE21 GLN B 41 32.842 5.692 -7.717 1.00 10.00 H new ATOM 0 HE22 GLN B 41 32.136 5.534 -6.105 1.00 10.00 H new ATOM 1162 N ARG B 42 29.186 0.971 -11.650 1.00 10.00 N ATOM 1163 CA ARG B 42 27.891 0.345 -11.966 1.00 10.00 C ATOM 1164 C ARG B 42 27.575 -0.685 -10.877 1.00 10.00 C ATOM 1165 O ARG B 42 28.289 -1.672 -10.726 1.00 10.00 O ATOM 1166 CB ARG B 42 27.933 -0.341 -13.337 1.00 10.00 C ATOM 1167 CG ARG B 42 28.093 0.674 -14.471 1.00 10.00 C ATOM 1168 CD ARG B 42 28.347 -0.008 -15.817 1.00 10.00 C ATOM 1169 NE ARG B 42 27.161 -0.708 -16.339 1.00 10.00 N ATOM 1170 CZ ARG B 42 27.147 -1.433 -17.469 1.00 10.00 C ATOM 1171 NH1 ARG B 42 28.243 -1.594 -18.193 1.00 10.00 N ATOM 1172 NH2 ARG B 42 26.020 -1.959 -17.903 1.00 10.00 N ATOM 0 H ARG B 42 29.953 0.304 -11.559 1.00 10.00 H new ATOM 0 HA ARG B 42 27.117 1.112 -12.001 1.00 10.00 H new ATOM 0 HB2 ARG B 42 28.760 -1.051 -13.364 1.00 10.00 H new ATOM 0 HB3 ARG B 42 27.017 -0.913 -13.486 1.00 10.00 H new ATOM 0 HG2 ARG B 42 27.194 1.287 -14.539 1.00 10.00 H new ATOM 0 HG3 ARG B 42 28.921 1.346 -14.243 1.00 10.00 H new ATOM 0 HD2 ARG B 42 28.670 0.739 -16.542 1.00 10.00 H new ATOM 0 HD3 ARG B 42 29.165 -0.721 -15.709 1.00 10.00 H new ATOM 0 HE ARG B 42 26.293 -0.637 -15.807 1.00 10.00 H new ATOM 0 HH11 ARG B 42 29.119 -1.164 -17.895 1.00 10.00 H new ATOM 0 HH12 ARG B 42 28.212 -2.149 -19.049 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.156 -1.816 -17.380 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.011 -2.509 -18.762 1.00 10.00 H new ATOM 1186 N LEU B 43 26.594 -0.340 -10.045 1.00 10.00 N ATOM 1187 CA LEU B 43 26.209 -1.182 -8.900 1.00 10.00 C ATOM 1188 C LEU B 43 25.017 -2.083 -9.236 1.00 10.00 C ATOM 1189 O LEU B 43 24.049 -1.648 -9.842 1.00 10.00 O ATOM 1190 CB LEU B 43 25.855 -0.336 -7.676 1.00 10.00 C ATOM 1191 CG LEU B 43 27.017 0.505 -7.133 1.00 10.00 C ATOM 1192 CD1 LEU B 43 26.538 1.288 -5.915 1.00 10.00 C ATOM 1193 CD2 LEU B 43 28.215 -0.368 -6.740 1.00 10.00 C ATOM 0 H LEU B 43 26.047 0.516 -10.137 1.00 10.00 H new ATOM 0 HA LEU B 43 27.075 -1.803 -8.672 1.00 10.00 H new ATOM 0 HB2 LEU B 43 25.030 0.329 -7.934 1.00 10.00 H new ATOM 0 HB3 LEU B 43 25.498 -0.995 -6.885 1.00 10.00 H new ATOM 0 HG LEU B 43 27.343 1.184 -7.921 1.00 10.00 H new ATOM 0 HD11 LEU B 43 27.359 1.889 -5.523 1.00 10.00 H new ATOM 0 HD12 LEU B 43 25.715 1.942 -6.203 1.00 10.00 H new ATOM 0 HD13 LEU B 43 26.197 0.594 -5.147 1.00 10.00 H new ATOM 0 HD21 LEU B 43 29.017 0.265 -6.360 1.00 10.00 H new ATOM 0 HD22 LEU B 43 27.913 -1.074 -5.967 1.00 10.00 H new ATOM 0 HD23 LEU B 43 28.568 -0.916 -7.614 1.00 10.00 H new ATOM 1205 N ILE B 44 25.144 -3.336 -8.803 1.00 10.00 N ATOM 1206 CA ILE B 44 24.127 -4.373 -9.051 1.00 10.00 C ATOM 1207 C ILE B 44 23.627 -4.902 -7.702 1.00 10.00 C ATOM 1208 O ILE B 44 24.417 -5.185 -6.803 1.00 10.00 O ATOM 1209 CB ILE B 44 24.694 -5.517 -9.934 1.00 10.00 C ATOM 1210 CG1 ILE B 44 24.955 -5.069 -11.381 1.00 10.00 C ATOM 1211 CG2 ILE B 44 23.789 -6.758 -10.006 1.00 10.00 C ATOM 1212 CD1 ILE B 44 26.175 -4.165 -11.586 1.00 10.00 C ATOM 0 H ILE B 44 25.949 -3.667 -8.272 1.00 10.00 H new ATOM 0 HA ILE B 44 23.291 -3.940 -9.601 1.00 10.00 H new ATOM 0 HB ILE B 44 25.627 -5.780 -9.435 1.00 10.00 H new ATOM 0 HG12 ILE B 44 25.076 -5.957 -12.001 1.00 10.00 H new ATOM 0 HG13 ILE B 44 24.072 -4.544 -11.745 1.00 10.00 H new ATOM 0 HG21 ILE B 44 24.255 -7.511 -10.641 1.00 10.00 H new ATOM 0 HG22 ILE B 44 23.648 -7.164 -9.004 1.00 10.00 H new ATOM 0 HG23 ILE B 44 22.822 -6.479 -10.423 1.00 10.00 H new ATOM 0 HD11 ILE B 44 26.265 -3.909 -12.642 1.00 10.00 H new ATOM 0 HD12 ILE B 44 26.055 -3.253 -11.001 1.00 10.00 H new ATOM 0 HD13 ILE B 44 27.074 -4.688 -11.261 1.00 10.00 H new ATOM 1224 N PHE B 45 22.322 -5.134 -7.680 1.00 10.00 N ATOM 1225 CA PHE B 45 21.656 -5.859 -6.586 1.00 10.00 C ATOM 1226 C PHE B 45 20.354 -6.473 -7.104 1.00 10.00 C ATOM 1227 O PHE B 45 19.582 -5.807 -7.789 1.00 10.00 O ATOM 1228 CB PHE B 45 21.368 -4.908 -5.420 1.00 10.00 C ATOM 1229 CG PHE B 45 20.714 -5.653 -4.255 1.00 10.00 C ATOM 1230 CD1 PHE B 45 21.487 -6.465 -3.436 1.00 10.00 C ATOM 1231 CD2 PHE B 45 19.349 -5.529 -4.036 1.00 10.00 C ATOM 1232 CE1 PHE B 45 20.891 -7.161 -2.395 1.00 10.00 C ATOM 1233 CE2 PHE B 45 18.753 -6.217 -2.987 1.00 10.00 C ATOM 1234 CZ PHE B 45 19.524 -7.034 -2.167 1.00 10.00 C ATOM 0 H PHE B 45 21.687 -4.828 -8.417 1.00 10.00 H new ATOM 0 HA PHE B 45 22.311 -6.654 -6.228 1.00 10.00 H new ATOM 0 HB2 PHE B 45 22.296 -4.445 -5.085 1.00 10.00 H new ATOM 0 HB3 PHE B 45 20.714 -4.103 -5.755 1.00 10.00 H new ATOM 0 HD1 PHE B 45 22.549 -6.554 -3.609 1.00 10.00 H new ATOM 0 HD2 PHE B 45 18.752 -4.899 -4.679 1.00 10.00 H new ATOM 0 HE1 PHE B 45 21.487 -7.801 -1.762 1.00 10.00 H new ATOM 0 HE2 PHE B 45 17.693 -6.118 -2.808 1.00 10.00 H new ATOM 0 HZ PHE B 45 19.061 -7.571 -1.352 1.00 10.00 H new ATOM 1244 N ALA B 46 20.217 -7.776 -6.859 1.00 10.00 N ATOM 1245 CA ALA B 46 19.020 -8.562 -7.255 1.00 10.00 C ATOM 1246 C ALA B 46 18.776 -8.529 -8.777 1.00 10.00 C ATOM 1247 O ALA B 46 17.643 -8.411 -9.272 1.00 10.00 O ATOM 1248 CB ALA B 46 17.809 -8.103 -6.422 1.00 10.00 C ATOM 0 H ALA B 46 20.928 -8.329 -6.380 1.00 10.00 H new ATOM 0 HA ALA B 46 19.193 -9.615 -7.032 1.00 10.00 H new ATOM 0 HB1 ALA B 46 16.930 -8.678 -6.711 1.00 10.00 H new ATOM 0 HB2 ALA B 46 18.015 -8.261 -5.363 1.00 10.00 H new ATOM 0 HB3 ALA B 46 17.625 -7.044 -6.601 1.00 10.00 H new ATOM 1254 N GLY B 47 19.874 -8.612 -9.524 1.00 10.00 N ATOM 1255 CA GLY B 47 19.875 -8.613 -11.008 1.00 10.00 C ATOM 1256 C GLY B 47 19.382 -7.297 -11.628 1.00 10.00 C ATOM 1257 O GLY B 47 18.840 -7.284 -12.732 1.00 10.00 O ATOM 0 H GLY B 47 20.809 -8.682 -9.122 1.00 10.00 H new ATOM 0 HA2 GLY B 47 20.886 -8.814 -11.361 1.00 10.00 H new ATOM 0 HA3 GLY B 47 19.245 -9.429 -11.362 1.00 10.00 H new ATOM 1261 N LYS B 48 19.633 -6.200 -10.922 1.00 10.00 N ATOM 1262 CA LYS B 48 19.231 -4.848 -11.345 1.00 10.00 C ATOM 1263 C LYS B 48 20.432 -3.901 -11.243 1.00 10.00 C ATOM 1264 O LYS B 48 21.232 -3.996 -10.319 1.00 10.00 O ATOM 1265 CB LYS B 48 18.117 -4.335 -10.426 1.00 10.00 C ATOM 1266 CG LYS B 48 16.724 -4.752 -10.913 1.00 10.00 C ATOM 1267 CD LYS B 48 15.622 -4.253 -9.971 1.00 10.00 C ATOM 1268 CE LYS B 48 15.915 -4.529 -8.491 1.00 10.00 C ATOM 1269 NZ LYS B 48 16.084 -5.970 -8.245 1.00 10.00 N ATOM 0 H LYS B 48 20.126 -6.216 -10.029 1.00 10.00 H new ATOM 0 HA LYS B 48 18.875 -4.885 -12.375 1.00 10.00 H new ATOM 0 HB2 LYS B 48 18.276 -4.716 -9.417 1.00 10.00 H new ATOM 0 HB3 LYS B 48 18.169 -3.248 -10.367 1.00 10.00 H new ATOM 0 HG2 LYS B 48 16.554 -4.355 -11.914 1.00 10.00 H new ATOM 0 HG3 LYS B 48 16.675 -5.838 -10.988 1.00 10.00 H new ATOM 0 HD2 LYS B 48 15.490 -3.180 -10.114 1.00 10.00 H new ATOM 0 HD3 LYS B 48 14.680 -4.729 -10.242 1.00 10.00 H new ATOM 0 HE2 LYS B 48 16.818 -3.997 -8.190 1.00 10.00 H new ATOM 0 HE3 LYS B 48 15.100 -4.145 -7.878 1.00 10.00 H new ATOM 0 HZ1 LYS B 48 15.732 -6.204 -7.295 1.00 10.00 H new ATOM 0 HZ2 LYS B 48 15.548 -6.509 -8.955 1.00 10.00 H new ATOM 0 HZ3 LYS B 48 17.092 -6.218 -8.312 1.00 10.00 H new ATOM 1283 N GLN B 49 20.560 -3.050 -12.265 1.00 10.00 N ATOM 1284 CA GLN B 49 21.547 -1.956 -12.241 1.00 10.00 C ATOM 1285 C GLN B 49 20.943 -0.780 -11.471 1.00 10.00 C ATOM 1286 O GLN B 49 19.811 -0.368 -11.703 1.00 10.00 O ATOM 1287 CB GLN B 49 21.910 -1.495 -13.654 1.00 10.00 C ATOM 1288 CG GLN B 49 22.436 -2.649 -14.509 1.00 10.00 C ATOM 1289 CD GLN B 49 23.178 -2.148 -15.748 1.00 10.00 C ATOM 1290 OE1 GLN B 49 23.969 -1.213 -15.718 1.00 10.00 O ATOM 1291 NE2 GLN B 49 22.984 -2.836 -16.850 1.00 10.00 N ATOM 0 H GLN B 49 19.999 -3.093 -13.116 1.00 10.00 H new ATOM 0 HA GLN B 49 22.457 -2.316 -11.761 1.00 10.00 H new ATOM 0 HB2 GLN B 49 21.032 -1.059 -14.131 1.00 10.00 H new ATOM 0 HB3 GLN B 49 22.665 -0.710 -13.598 1.00 10.00 H new ATOM 0 HG2 GLN B 49 23.105 -3.268 -13.911 1.00 10.00 H new ATOM 0 HG3 GLN B 49 21.604 -3.282 -14.816 1.00 10.00 H new ATOM 0 HE21 GLN B 49 22.322 -3.612 -16.857 1.00 10.00 H new ATOM 0 HE22 GLN B 49 23.496 -2.595 -17.699 1.00 10.00 H new ATOM 1300 N LEU B 50 21.732 -0.274 -10.526 1.00 10.00 N ATOM 1301 CA LEU B 50 21.256 0.778 -9.619 1.00 10.00 C ATOM 1302 C LEU B 50 21.340 2.160 -10.274 1.00 10.00 C ATOM 1303 O LEU B 50 22.322 2.528 -10.897 1.00 10.00 O ATOM 1304 CB LEU B 50 22.031 0.694 -8.300 1.00 10.00 C ATOM 1305 CG LEU B 50 22.017 -0.714 -7.685 1.00 10.00 C ATOM 1306 CD1 LEU B 50 22.716 -0.689 -6.331 1.00 10.00 C ATOM 1307 CD2 LEU B 50 20.614 -1.314 -7.543 1.00 10.00 C ATOM 0 H LEU B 50 22.695 -0.569 -10.366 1.00 10.00 H new ATOM 0 HA LEU B 50 20.200 0.622 -9.399 1.00 10.00 H new ATOM 0 HB2 LEU B 50 23.063 1.000 -8.471 1.00 10.00 H new ATOM 0 HB3 LEU B 50 21.603 1.400 -7.588 1.00 10.00 H new ATOM 0 HG LEU B 50 22.552 -1.361 -8.380 1.00 10.00 H new ATOM 0 HD11 LEU B 50 22.705 -1.689 -5.897 1.00 10.00 H new ATOM 0 HD12 LEU B 50 23.747 -0.361 -6.460 1.00 10.00 H new ATOM 0 HD13 LEU B 50 22.197 0.001 -5.666 1.00 10.00 H new ATOM 0 HD21 LEU B 50 20.686 -2.308 -7.102 1.00 10.00 H new ATOM 0 HD22 LEU B 50 20.008 -0.675 -6.900 1.00 10.00 H new ATOM 0 HD23 LEU B 50 20.148 -1.386 -8.526 1.00 10.00 H new ATOM 1319 N GLU B 51 20.252 2.908 -10.095 1.00 10.00 N ATOM 1320 CA GLU B 51 20.061 4.225 -10.703 1.00 10.00 C ATOM 1321 C GLU B 51 20.437 5.333 -9.724 1.00 10.00 C ATOM 1322 O GLU B 51 19.945 5.357 -8.601 1.00 10.00 O ATOM 1323 CB GLU B 51 18.598 4.362 -11.105 1.00 10.00 C ATOM 1324 CG GLU B 51 18.145 3.368 -12.172 1.00 10.00 C ATOM 1325 CD GLU B 51 18.942 3.497 -13.453 1.00 10.00 C ATOM 1326 OE1 GLU B 51 18.587 4.353 -14.289 1.00 10.00 O ATOM 1327 OE2 GLU B 51 19.904 2.728 -13.641 1.00 10.00 O ATOM 0 H GLU B 51 19.467 2.612 -9.515 1.00 10.00 H new ATOM 0 HA GLU B 51 20.704 4.318 -11.578 1.00 10.00 H new ATOM 0 HB2 GLU B 51 17.976 4.235 -10.219 1.00 10.00 H new ATOM 0 HB3 GLU B 51 18.427 5.374 -11.472 1.00 10.00 H new ATOM 0 HG2 GLU B 51 18.244 2.354 -11.786 1.00 10.00 H new ATOM 0 HG3 GLU B 51 17.088 3.526 -12.387 1.00 10.00 H new ATOM 1334 N ASP B 52 21.236 6.276 -10.201 1.00 10.00 N ATOM 1335 CA ASP B 52 21.808 7.343 -9.346 1.00 10.00 C ATOM 1336 C ASP B 52 20.786 8.104 -8.494 1.00 10.00 C ATOM 1337 O ASP B 52 20.994 8.247 -7.282 1.00 10.00 O ATOM 1338 CB ASP B 52 22.609 8.340 -10.190 1.00 10.00 C ATOM 1339 CG ASP B 52 23.938 7.764 -10.679 1.00 10.00 C ATOM 1340 OD1 ASP B 52 24.588 7.065 -9.870 1.00 10.00 O ATOM 1341 OD2 ASP B 52 24.235 7.995 -11.868 1.00 10.00 O ATOM 0 H ASP B 52 21.513 6.336 -11.181 1.00 10.00 H new ATOM 0 HA ASP B 52 22.458 6.819 -8.645 1.00 10.00 H new ATOM 0 HB2 ASP B 52 22.012 8.645 -11.049 1.00 10.00 H new ATOM 0 HB3 ASP B 52 22.801 9.237 -9.601 1.00 10.00 H new ATOM 1346 N GLY B 53 19.669 8.494 -9.145 1.00 10.00 N ATOM 1347 CA GLY B 53 18.588 9.251 -8.500 1.00 10.00 C ATOM 1348 C GLY B 53 17.620 8.419 -7.657 1.00 10.00 C ATOM 1349 O GLY B 53 16.579 8.931 -7.223 1.00 10.00 O ATOM 0 H GLY B 53 19.497 8.291 -10.130 1.00 10.00 H new ATOM 0 HA2 GLY B 53 19.032 10.016 -7.864 1.00 10.00 H new ATOM 0 HA3 GLY B 53 18.019 9.769 -9.272 1.00 10.00 H new ATOM 1353 N ARG B 54 17.925 7.134 -7.462 1.00 10.00 N ATOM 1354 CA ARG B 54 17.107 6.252 -6.614 1.00 10.00 C ATOM 1355 C ARG B 54 17.822 6.068 -5.280 1.00 10.00 C ATOM 1356 O ARG B 54 18.902 6.627 -5.068 1.00 10.00 O ATOM 1357 CB ARG B 54 16.870 4.884 -7.281 1.00 10.00 C ATOM 1358 CG ARG B 54 16.293 4.929 -8.708 1.00 10.00 C ATOM 1359 CD ARG B 54 14.902 5.566 -8.811 1.00 10.00 C ATOM 1360 NE ARG B 54 13.860 4.730 -8.214 1.00 10.00 N ATOM 1361 CZ ARG B 54 12.556 4.797 -8.497 1.00 10.00 C ATOM 1362 NH1 ARG B 54 12.088 5.546 -9.490 1.00 10.00 N ATOM 1363 NH2 ARG B 54 11.705 4.107 -7.760 1.00 10.00 N ATOM 0 H ARG B 54 18.735 6.676 -7.880 1.00 10.00 H new ATOM 0 HA ARG B 54 16.130 6.711 -6.463 1.00 10.00 H new ATOM 0 HB2 ARG B 54 17.817 4.345 -7.308 1.00 10.00 H new ATOM 0 HB3 ARG B 54 16.192 4.306 -6.653 1.00 10.00 H new ATOM 0 HG2 ARG B 54 16.981 5.483 -9.347 1.00 10.00 H new ATOM 0 HG3 ARG B 54 16.243 3.913 -9.099 1.00 10.00 H new ATOM 0 HD2 ARG B 54 14.913 6.537 -8.316 1.00 10.00 H new ATOM 0 HD3 ARG B 54 14.664 5.745 -9.860 1.00 10.00 H new ATOM 0 HE ARG B 54 14.154 4.038 -7.524 1.00 10.00 H new ATOM 0 HH11 ARG B 54 12.731 6.093 -10.063 1.00 10.00 H new ATOM 0 HH12 ARG B 54 11.086 5.574 -9.679 1.00 10.00 H new ATOM 0 HH21 ARG B 54 12.047 3.534 -6.988 1.00 10.00 H new ATOM 0 HH22 ARG B 54 10.706 4.147 -7.962 1.00 10.00 H new ATOM 1377 N THR B 55 17.236 5.271 -4.397 1.00 10.00 N ATOM 1378 CA THR B 55 17.802 5.037 -3.064 1.00 10.00 C ATOM 1379 C THR B 55 17.875 3.546 -2.745 1.00 10.00 C ATOM 1380 O THR B 55 17.351 2.718 -3.486 1.00 10.00 O ATOM 1381 CB THR B 55 16.959 5.707 -1.961 1.00 10.00 C ATOM 1382 OG1 THR B 55 15.624 5.198 -2.006 1.00 10.00 O ATOM 1383 CG2 THR B 55 16.943 7.234 -2.102 1.00 10.00 C ATOM 0 H THR B 55 16.365 4.771 -4.575 1.00 10.00 H new ATOM 0 HA THR B 55 18.802 5.470 -3.082 1.00 10.00 H new ATOM 0 HB THR B 55 17.415 5.472 -0.999 1.00 10.00 H new ATOM 0 HG1 THR B 55 15.414 4.755 -1.158 1.00 10.00 H new ATOM 0 HG21 THR B 55 16.338 7.667 -1.305 1.00 10.00 H new ATOM 0 HG22 THR B 55 17.961 7.616 -2.033 1.00 10.00 H new ATOM 0 HG23 THR B 55 16.518 7.506 -3.068 1.00 10.00 H new ATOM 1391 N LEU B 56 18.542 3.218 -1.638 1.00 10.00 N ATOM 1392 CA LEU B 56 18.690 1.814 -1.199 1.00 10.00 C ATOM 1393 C LEU B 56 17.348 1.121 -0.922 1.00 10.00 C ATOM 1394 O LEU B 56 17.094 0.013 -1.388 1.00 10.00 O ATOM 1395 CB LEU B 56 19.563 1.726 0.056 1.00 10.00 C ATOM 1396 CG LEU B 56 21.006 2.172 -0.188 1.00 10.00 C ATOM 1397 CD1 LEU B 56 21.766 2.110 1.132 1.00 10.00 C ATOM 1398 CD2 LEU B 56 21.727 1.296 -1.212 1.00 10.00 C ATOM 0 H LEU B 56 18.991 3.898 -1.024 1.00 10.00 H new ATOM 0 HA LEU B 56 19.167 1.293 -2.029 1.00 10.00 H new ATOM 0 HB2 LEU B 56 19.125 2.343 0.841 1.00 10.00 H new ATOM 0 HB3 LEU B 56 19.563 0.699 0.421 1.00 10.00 H new ATOM 0 HG LEU B 56 20.976 3.186 -0.586 1.00 10.00 H new ATOM 0 HD11 LEU B 56 22.797 2.425 0.973 1.00 10.00 H new ATOM 0 HD12 LEU B 56 21.291 2.772 1.856 1.00 10.00 H new ATOM 0 HD13 LEU B 56 21.754 1.088 1.511 1.00 10.00 H new ATOM 0 HD21 LEU B 56 22.747 1.657 -1.346 1.00 10.00 H new ATOM 0 HD22 LEU B 56 21.751 0.266 -0.857 1.00 10.00 H new ATOM 0 HD23 LEU B 56 21.198 1.339 -2.164 1.00 10.00 H new ATOM 1410 N SER B 57 16.429 1.905 -0.334 1.00 10.00 N ATOM 1411 CA SER B 57 15.065 1.451 -0.028 1.00 10.00 C ATOM 1412 C SER B 57 14.279 1.144 -1.305 1.00 10.00 C ATOM 1413 O SER B 57 13.381 0.304 -1.299 1.00 10.00 O ATOM 1414 CB SER B 57 14.322 2.516 0.808 1.00 10.00 C ATOM 1415 OG SER B 57 14.274 3.760 0.133 1.00 10.00 O ATOM 0 H SER B 57 16.612 2.870 -0.058 1.00 10.00 H new ATOM 0 HA SER B 57 15.142 0.530 0.550 1.00 10.00 H new ATOM 0 HB2 SER B 57 13.308 2.174 1.018 1.00 10.00 H new ATOM 0 HB3 SER B 57 14.821 2.640 1.769 1.00 10.00 H new ATOM 0 HG SER B 57 13.797 4.414 0.685 1.00 10.00 H new ATOM 1421 N ASP B 58 14.611 1.850 -2.393 1.00 10.00 N ATOM 1422 CA ASP B 58 13.918 1.692 -3.686 1.00 10.00 C ATOM 1423 C ASP B 58 14.313 0.400 -4.409 1.00 10.00 C ATOM 1424 O ASP B 58 13.803 0.104 -5.494 1.00 10.00 O ATOM 1425 CB ASP B 58 14.204 2.891 -4.597 1.00 10.00 C ATOM 1426 CG ASP B 58 13.594 4.175 -4.097 1.00 10.00 C ATOM 1427 OD1 ASP B 58 12.987 4.181 -2.996 1.00 10.00 O ATOM 1428 OD2 ASP B 58 13.716 5.185 -4.813 1.00 10.00 O ATOM 0 H ASP B 58 15.360 2.542 -2.407 1.00 10.00 H new ATOM 0 HA ASP B 58 12.852 1.638 -3.465 1.00 10.00 H new ATOM 0 HB2 ASP B 58 15.282 3.020 -4.689 1.00 10.00 H new ATOM 0 HB3 ASP B 58 13.822 2.680 -5.596 1.00 10.00 H new ATOM 1433 N TYR B 59 15.233 -0.356 -3.814 1.00 10.00 N ATOM 1434 CA TYR B 59 15.706 -1.623 -4.385 1.00 10.00 C ATOM 1435 C TYR B 59 15.632 -2.760 -3.358 1.00 10.00 C ATOM 1436 O TYR B 59 15.991 -3.907 -3.653 1.00 10.00 O ATOM 1437 CB TYR B 59 17.148 -1.459 -4.853 1.00 10.00 C ATOM 1438 CG TYR B 59 17.296 -0.723 -6.154 1.00 10.00 C ATOM 1439 CD1 TYR B 59 16.946 -1.331 -7.352 1.00 10.00 C ATOM 1440 CD2 TYR B 59 17.848 0.550 -6.192 1.00 10.00 C ATOM 1441 CE1 TYR B 59 17.130 -0.683 -8.557 1.00 10.00 C ATOM 1442 CE2 TYR B 59 18.026 1.206 -7.393 1.00 10.00 C ATOM 1443 CZ TYR B 59 17.679 0.578 -8.573 1.00 10.00 C ATOM 1444 OH TYR B 59 17.884 1.216 -9.768 1.00 10.00 O ATOM 0 H TYR B 59 15.672 -0.112 -2.926 1.00 10.00 H new ATOM 0 HA TYR B 59 15.062 -1.880 -5.226 1.00 10.00 H new ATOM 0 HB2 TYR B 59 17.709 -0.929 -4.083 1.00 10.00 H new ATOM 0 HB3 TYR B 59 17.599 -2.446 -4.954 1.00 10.00 H new ATOM 0 HD1 TYR B 59 16.524 -2.325 -7.341 1.00 10.00 H new ATOM 0 HD2 TYR B 59 18.141 1.032 -5.271 1.00 10.00 H new ATOM 0 HE1 TYR B 59 16.845 -1.163 -9.481 1.00 10.00 H new ATOM 0 HE2 TYR B 59 18.435 2.206 -7.410 1.00 10.00 H new ATOM 0 HH TYR B 59 18.197 0.569 -10.435 1.00 10.00 H new ATOM 1454 N ASN B 60 15.151 -2.422 -2.157 1.00 10.00 N ATOM 1455 CA ASN B 60 15.010 -3.369 -1.038 1.00 10.00 C ATOM 1456 C ASN B 60 16.378 -3.841 -0.504 1.00 10.00 C ATOM 1457 O ASN B 60 16.523 -4.936 0.046 1.00 10.00 O ATOM 1458 CB ASN B 60 14.101 -4.540 -1.429 1.00 10.00 C ATOM 1459 CG ASN B 60 13.569 -5.304 -0.226 1.00 10.00 C ATOM 1460 OD1 ASN B 60 13.365 -4.738 0.853 1.00 10.00 O ATOM 1461 ND2 ASN B 60 13.356 -6.592 -0.400 1.00 10.00 N ATOM 0 H ASN B 60 14.845 -1.476 -1.929 1.00 10.00 H new ATOM 0 HA ASN B 60 14.529 -2.843 -0.213 1.00 10.00 H new ATOM 0 HB2 ASN B 60 13.262 -4.163 -2.013 1.00 10.00 H new ATOM 0 HB3 ASN B 60 14.655 -5.224 -2.072 1.00 10.00 H new ATOM 0 HD21 ASN B 60 13.010 -7.161 0.373 1.00 10.00 H new ATOM 0 HD22 ASN B 60 13.537 -7.021 -1.308 1.00 10.00 H new ATOM 1468 N ILE B 61 17.377 -2.996 -0.705 1.00 10.00 N ATOM 1469 CA ILE B 61 18.741 -3.201 -0.179 1.00 10.00 C ATOM 1470 C ILE B 61 18.696 -2.910 1.324 1.00 10.00 C ATOM 1471 O ILE B 61 18.602 -1.761 1.747 1.00 10.00 O ATOM 1472 CB ILE B 61 19.761 -2.309 -0.916 1.00 10.00 C ATOM 1473 CG1 ILE B 61 19.748 -2.659 -2.412 1.00 10.00 C ATOM 1474 CG2 ILE B 61 21.170 -2.441 -0.308 1.00 10.00 C ATOM 1475 CD1 ILE B 61 20.630 -1.784 -3.307 1.00 10.00 C ATOM 0 H ILE B 61 17.275 -2.135 -1.243 1.00 10.00 H new ATOM 0 HA ILE B 61 19.071 -4.226 -0.345 1.00 10.00 H new ATOM 0 HB ILE B 61 19.474 -1.264 -0.798 1.00 10.00 H new ATOM 0 HG12 ILE B 61 20.063 -3.696 -2.526 1.00 10.00 H new ATOM 0 HG13 ILE B 61 18.721 -2.596 -2.772 1.00 10.00 H new ATOM 0 HG21 ILE B 61 21.863 -1.799 -0.852 1.00 10.00 H new ATOM 0 HG22 ILE B 61 21.144 -2.141 0.740 1.00 10.00 H new ATOM 0 HG23 ILE B 61 21.502 -3.477 -0.381 1.00 10.00 H new ATOM 0 HD11 ILE B 61 20.545 -2.119 -4.341 1.00 10.00 H new ATOM 0 HD12 ILE B 61 20.306 -0.746 -3.234 1.00 10.00 H new ATOM 0 HD13 ILE B 61 21.668 -1.864 -2.984 1.00 10.00 H new ATOM 1487 N GLN B 62 18.773 -3.975 2.109 1.00 10.00 N ATOM 1488 CA GLN B 62 18.712 -3.871 3.558 1.00 10.00 C ATOM 1489 C GLN B 62 20.091 -4.098 4.182 1.00 10.00 C ATOM 1490 O GLN B 62 21.101 -4.152 3.480 1.00 10.00 O ATOM 1491 CB GLN B 62 17.699 -4.891 4.094 1.00 10.00 C ATOM 1492 CG GLN B 62 16.282 -4.707 3.546 1.00 10.00 C ATOM 1493 CD GLN B 62 15.253 -5.594 4.239 1.00 10.00 C ATOM 1494 OE1 GLN B 62 15.701 -6.698 4.819 1.00 10.00 O flip ATOM 1495 NE2 GLN B 62 14.064 -5.277 4.268 1.00 10.00 N flip ATOM 0 H GLN B 62 18.879 -4.928 1.762 1.00 10.00 H new ATOM 0 HA GLN B 62 18.391 -2.866 3.830 1.00 10.00 H new ATOM 0 HB2 GLN B 62 18.045 -5.895 3.848 1.00 10.00 H new ATOM 0 HB3 GLN B 62 17.669 -4.821 5.181 1.00 10.00 H new ATOM 0 HG2 GLN B 62 15.988 -3.663 3.659 1.00 10.00 H new ATOM 0 HG3 GLN B 62 16.281 -4.925 2.478 1.00 10.00 H new ATOM 0 HE21 GLN B 62 13.753 -4.420 3.811 1.00 10.00 H new ATOM 0 HE22 GLN B 62 13.389 -5.872 4.749 1.00 10.00 H new ATOM 1504 N LYS B 63 20.128 -4.209 5.509 1.00 10.00 N ATOM 1505 CA LYS B 63 21.397 -4.435 6.225 1.00 10.00 C ATOM 1506 C LYS B 63 21.976 -5.792 5.804 1.00 10.00 C ATOM 1507 O LYS B 63 21.227 -6.728 5.551 1.00 10.00 O ATOM 1508 CB LYS B 63 21.186 -4.387 7.746 1.00 10.00 C ATOM 1509 CG LYS B 63 20.346 -5.539 8.309 1.00 10.00 C ATOM 1510 CD LYS B 63 20.142 -5.352 9.807 1.00 10.00 C ATOM 1511 CE LYS B 63 19.355 -6.524 10.393 1.00 10.00 C ATOM 1512 NZ LYS B 63 18.995 -6.226 11.784 1.00 10.00 N ATOM 0 H LYS B 63 19.307 -4.148 6.111 1.00 10.00 H new ATOM 0 HA LYS B 63 22.099 -3.643 5.965 1.00 10.00 H new ATOM 0 HB2 LYS B 63 22.160 -4.392 8.235 1.00 10.00 H new ATOM 0 HB3 LYS B 63 20.704 -3.444 8.003 1.00 10.00 H new ATOM 0 HG2 LYS B 63 19.381 -5.577 7.804 1.00 10.00 H new ATOM 0 HG3 LYS B 63 20.843 -6.490 8.117 1.00 10.00 H new ATOM 0 HD2 LYS B 63 21.109 -5.271 10.304 1.00 10.00 H new ATOM 0 HD3 LYS B 63 19.609 -4.420 9.993 1.00 10.00 H new ATOM 0 HE2 LYS B 63 18.456 -6.703 9.804 1.00 10.00 H new ATOM 0 HE3 LYS B 63 19.952 -7.435 10.348 1.00 10.00 H new ATOM 0 HZ1 LYS B 63 18.460 -7.024 12.183 1.00 10.00 H new ATOM 0 HZ2 LYS B 63 19.860 -6.076 12.342 1.00 10.00 H new ATOM 0 HZ3 LYS B 63 18.410 -5.367 11.815 1.00 10.00 H new ATOM 1526 N GLU B 64 23.307 -5.813 5.660 1.00 10.00 N ATOM 1527 CA GLU B 64 24.068 -7.036 5.316 1.00 10.00 C ATOM 1528 C GLU B 64 23.939 -7.463 3.842 1.00 10.00 C ATOM 1529 O GLU B 64 24.464 -8.507 3.456 1.00 10.00 O ATOM 1530 CB GLU B 64 23.639 -8.227 6.193 1.00 10.00 C ATOM 1531 CG GLU B 64 24.729 -8.729 7.134 1.00 10.00 C ATOM 1532 CD GLU B 64 25.304 -7.642 8.049 1.00 10.00 C ATOM 1533 OE1 GLU B 64 24.569 -6.690 8.403 1.00 10.00 O ATOM 1534 OE2 GLU B 64 26.502 -7.794 8.365 1.00 10.00 O ATOM 0 H GLU B 64 23.893 -4.986 5.777 1.00 10.00 H new ATOM 0 HA GLU B 64 25.109 -6.769 5.501 1.00 10.00 H new ATOM 0 HB2 GLU B 64 22.770 -7.936 6.783 1.00 10.00 H new ATOM 0 HB3 GLU B 64 23.326 -9.047 5.547 1.00 10.00 H new ATOM 0 HG2 GLU B 64 24.323 -9.532 7.749 1.00 10.00 H new ATOM 0 HG3 GLU B 64 25.538 -9.158 6.542 1.00 10.00 H new ATOM 1541 N SER B 65 23.305 -6.621 3.031 1.00 10.00 N ATOM 1542 CA SER B 65 23.194 -6.875 1.580 1.00 10.00 C ATOM 1543 C SER B 65 24.559 -6.666 0.933 1.00 10.00 C ATOM 1544 O SER B 65 25.348 -5.828 1.353 1.00 10.00 O ATOM 1545 CB SER B 65 22.220 -5.908 0.914 1.00 10.00 C ATOM 1546 OG SER B 65 20.889 -6.126 1.380 1.00 10.00 O ATOM 0 H SER B 65 22.859 -5.758 3.343 1.00 10.00 H new ATOM 0 HA SER B 65 22.835 -7.896 1.449 1.00 10.00 H new ATOM 0 HB2 SER B 65 22.520 -4.881 1.124 1.00 10.00 H new ATOM 0 HB3 SER B 65 22.257 -6.036 -0.168 1.00 10.00 H new ATOM 0 HG SER B 65 20.724 -5.571 2.171 1.00 10.00 H new ATOM 1552 N THR B 66 24.847 -7.514 -0.056 1.00 10.00 N ATOM 1553 CA THR B 66 26.087 -7.351 -0.827 1.00 10.00 C ATOM 1554 C THR B 66 25.739 -7.113 -2.303 1.00 10.00 C ATOM 1555 O THR B 66 24.839 -7.716 -2.868 1.00 10.00 O ATOM 1556 CB THR B 66 27.130 -8.481 -0.645 1.00 10.00 C ATOM 1557 OG1 THR B 66 27.140 -9.374 -1.756 1.00 10.00 O ATOM 1558 CG2 THR B 66 26.954 -9.308 0.637 1.00 10.00 C ATOM 0 H THR B 66 24.260 -8.299 -0.339 1.00 10.00 H new ATOM 0 HA THR B 66 26.594 -6.476 -0.420 1.00 10.00 H new ATOM 0 HB THR B 66 28.080 -7.952 -0.569 1.00 10.00 H new ATOM 0 HG1 THR B 66 27.811 -10.073 -1.608 1.00 10.00 H new ATOM 0 HG21 THR B 66 27.726 -10.076 0.683 1.00 10.00 H new ATOM 0 HG22 THR B 66 27.039 -8.655 1.506 1.00 10.00 H new ATOM 0 HG23 THR B 66 25.972 -9.781 0.633 1.00 10.00 H new ATOM 1566 N LEU B 67 26.391 -6.074 -2.812 1.00 10.00 N ATOM 1567 CA LEU B 67 26.271 -5.605 -4.195 1.00 10.00 C ATOM 1568 C LEU B 67 27.576 -5.957 -4.919 1.00 10.00 C ATOM 1569 O LEU B 67 28.585 -6.296 -4.311 1.00 10.00 O ATOM 1570 CB LEU B 67 26.082 -4.077 -4.189 1.00 10.00 C ATOM 1571 CG LEU B 67 24.707 -3.554 -3.738 1.00 10.00 C ATOM 1572 CD1 LEU B 67 24.304 -3.943 -2.312 1.00 10.00 C ATOM 1573 CD2 LEU B 67 24.735 -2.029 -3.806 1.00 10.00 C ATOM 0 H LEU B 67 27.040 -5.514 -2.259 1.00 10.00 H new ATOM 0 HA LEU B 67 25.421 -6.070 -4.694 1.00 10.00 H new ATOM 0 HB2 LEU B 67 26.842 -3.642 -3.539 1.00 10.00 H new ATOM 0 HB3 LEU B 67 26.274 -3.706 -5.196 1.00 10.00 H new ATOM 0 HG LEU B 67 23.976 -4.010 -4.406 1.00 10.00 H new ATOM 0 HD11 LEU B 67 23.321 -3.529 -2.086 1.00 10.00 H new ATOM 0 HD12 LEU B 67 24.268 -5.029 -2.227 1.00 10.00 H new ATOM 0 HD13 LEU B 67 25.035 -3.548 -1.607 1.00 10.00 H new ATOM 0 HD21 LEU B 67 23.770 -1.633 -3.491 1.00 10.00 H new ATOM 0 HD22 LEU B 67 25.516 -1.650 -3.147 1.00 10.00 H new ATOM 0 HD23 LEU B 67 24.939 -1.714 -4.829 1.00 10.00 H new ATOM 1585 N HIS B 68 27.501 -5.862 -6.242 1.00 10.00 N ATOM 1586 CA HIS B 68 28.680 -6.052 -7.097 1.00 10.00 C ATOM 1587 C HIS B 68 28.993 -4.769 -7.865 1.00 10.00 C ATOM 1588 O HIS B 68 28.114 -3.969 -8.167 1.00 10.00 O ATOM 1589 CB HIS B 68 28.469 -7.227 -8.052 1.00 10.00 C ATOM 1590 CG HIS B 68 28.619 -8.553 -7.307 1.00 10.00 C ATOM 1591 ND1 HIS B 68 27.668 -9.180 -6.618 1.00 10.00 N ATOM 1592 CD2 HIS B 68 29.717 -9.299 -7.275 1.00 10.00 C ATOM 1593 CE1 HIS B 68 28.186 -10.313 -6.153 1.00 10.00 C ATOM 1594 NE2 HIS B 68 29.448 -10.388 -6.565 1.00 10.00 N ATOM 0 H HIS B 68 26.641 -5.655 -6.750 1.00 10.00 H new ATOM 0 HA HIS B 68 29.536 -6.285 -6.463 1.00 10.00 H new ATOM 0 HB2 HIS B 68 27.478 -7.165 -8.501 1.00 10.00 H new ATOM 0 HB3 HIS B 68 29.192 -7.176 -8.866 1.00 10.00 H new ATOM 0 HD1 HIS B 68 26.714 -8.851 -6.473 1.00 10.00 H new ATOM 0 HD2 HIS B 68 30.661 -9.062 -7.743 1.00 10.00 H new ATOM 0 HE1 HIS B 68 27.672 -11.044 -5.547 1.00 10.00 H new ATOM 1603 N LEU B 69 30.294 -4.608 -8.100 1.00 10.00 N ATOM 1604 CA LEU B 69 30.835 -3.462 -8.835 1.00 10.00 C ATOM 1605 C LEU B 69 31.496 -3.945 -10.131 1.00 10.00 C ATOM 1606 O LEU B 69 32.344 -4.827 -10.131 1.00 10.00 O ATOM 1607 CB LEU B 69 31.862 -2.746 -7.947 1.00 10.00 C ATOM 1608 CG LEU B 69 32.587 -1.590 -8.650 1.00 10.00 C ATOM 1609 CD1 LEU B 69 31.622 -0.464 -9.027 1.00 10.00 C ATOM 1610 CD2 LEU B 69 33.711 -1.058 -7.766 1.00 10.00 C ATOM 0 H LEU B 69 31.005 -5.268 -7.786 1.00 10.00 H new ATOM 0 HA LEU B 69 30.033 -2.770 -9.093 1.00 10.00 H new ATOM 0 HB2 LEU B 69 31.357 -2.361 -7.061 1.00 10.00 H new ATOM 0 HB3 LEU B 69 32.600 -3.471 -7.604 1.00 10.00 H new ATOM 0 HG LEU B 69 33.015 -1.977 -9.575 1.00 10.00 H new ATOM 0 HD11 LEU B 69 32.172 0.336 -9.522 1.00 10.00 H new ATOM 0 HD12 LEU B 69 30.858 -0.850 -9.701 1.00 10.00 H new ATOM 0 HD13 LEU B 69 31.148 -0.074 -8.126 1.00 10.00 H new ATOM 0 HD21 LEU B 69 34.218 -0.238 -8.276 1.00 10.00 H new ATOM 0 HD22 LEU B 69 33.295 -0.698 -6.825 1.00 10.00 H new ATOM 0 HD23 LEU B 69 34.425 -1.857 -7.565 1.00 10.00 H new ATOM 1622 N VAL B 70 31.102 -3.274 -11.237 1.00 10.00 N ATOM 1623 CA VAL B 70 31.704 -3.484 -12.535 1.00 10.00 C ATOM 1624 C VAL B 70 32.370 -2.148 -12.898 1.00 10.00 C ATOM 1625 O VAL B 70 31.783 -1.071 -12.691 1.00 10.00 O ATOM 1626 CB VAL B 70 30.616 -3.885 -13.601 1.00 10.00 C ATOM 1627 CG1 VAL B 70 31.189 -3.905 -15.026 1.00 10.00 C ATOM 1628 CG2 VAL B 70 29.957 -5.224 -13.240 1.00 10.00 C ATOM 0 H VAL B 70 30.357 -2.577 -11.235 1.00 10.00 H new ATOM 0 HA VAL B 70 32.427 -4.300 -12.518 1.00 10.00 H new ATOM 0 HB VAL B 70 29.843 -3.117 -13.582 1.00 10.00 H new ATOM 0 HG11 VAL B 70 30.405 -4.186 -15.729 1.00 10.00 H new ATOM 0 HG12 VAL B 70 31.566 -2.915 -15.280 1.00 10.00 H new ATOM 0 HG13 VAL B 70 32.003 -4.628 -15.081 1.00 10.00 H new ATOM 0 HG21 VAL B 70 29.210 -5.477 -13.993 1.00 10.00 H new ATOM 0 HG22 VAL B 70 30.716 -6.005 -13.206 1.00 10.00 H new ATOM 0 HG23 VAL B 70 29.476 -5.142 -12.265 1.00 10.00 H new ATOM 1638 N LEU B 71 33.580 -2.216 -13.432 1.00 10.00 N ATOM 1639 CA LEU B 71 34.351 -1.021 -13.734 1.00 10.00 C ATOM 1640 C LEU B 71 34.126 -0.591 -15.187 1.00 10.00 C ATOM 1641 O LEU B 71 34.492 -1.311 -16.115 1.00 10.00 O ATOM 1642 CB LEU B 71 35.844 -1.277 -13.473 1.00 10.00 C ATOM 1643 CG LEU B 71 36.566 -0.123 -12.791 1.00 10.00 C ATOM 1644 CD1 LEU B 71 36.437 -0.272 -11.265 1.00 10.00 C ATOM 1645 CD2 LEU B 71 38.059 0.028 -13.293 1.00 10.00 C ATOM 0 H LEU B 71 34.050 -3.090 -13.666 1.00 10.00 H new ATOM 0 HA LEU B 71 34.016 -0.214 -13.083 1.00 10.00 H new ATOM 0 HB2 LEU B 71 35.945 -2.170 -12.856 1.00 10.00 H new ATOM 0 HB3 LEU B 71 36.336 -1.488 -14.422 1.00 10.00 H new ATOM 0 HG LEU B 71 36.089 0.816 -13.071 1.00 10.00 H new ATOM 0 HD11 LEU B 71 36.953 0.553 -10.774 1.00 10.00 H new ATOM 0 HD12 LEU B 71 35.383 -0.258 -10.986 1.00 10.00 H new ATOM 0 HD13 LEU B 71 36.883 -1.216 -10.953 1.00 10.00 H new ATOM 0 HD21 LEU B 71 38.533 0.864 -12.778 1.00 10.00 H new ATOM 0 HD22 LEU B 71 38.609 -0.889 -13.080 1.00 10.00 H new ATOM 0 HD23 LEU B 71 38.065 0.213 -14.367 1.00 10.00 H new