USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 984 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 41 TYR OH : rot 28:sc= 0.46 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 0.663 K(o=1.1,f=-5!) USER MOD Set 2.1: A 24 MET CE :methyl 171:sc= -0.159 (180deg=-0.246) USER MOD Set 2.2: A 27 TYR OH : rot -149:sc= 0.221 USER MOD Set 2.3: A 60 HIS : no HE2:sc= -0.412 K(o=-0.35,f=-5.5!) USER MOD Single : A 14 THR OG1 : rot 22:sc= 0.619 USER MOD Single : A 16 SER OG : rot 180:sc= 0.176 USER MOD Single : A 21 SER OG : rot 76:sc= 0.798 USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= 0.947 (180deg=-0.289!) USER MOD Single : A 25 GLN : amide:sc= -0.547 K(o=-0.55,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.923 K(o=0.92,f=-7.9!) USER MOD Single : A 28 THR OG1 : rot 96:sc= 0.779 USER MOD Single : A 30 HIS : no HD1:sc= -0.0054 X(o=-0.0054,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -136:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0549 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.199 (180deg=-1.24) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 45 MET CE :methyl -113:sc= -0.492 (180deg=-1.11) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0857 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.198 K(o=0.2,f=-2.3) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 1.14 (180deg=0.934) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 77:sc= 0.944 USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 2.43 (180deg=2.29) USER MOD Single : A 74 GLN : amide:sc= -0.532 K(o=-0.53,f=-4!) USER MOD Single : A 76 ASN : amide:sc= 1.24 K(o=1.2,f=-0.063) USER MOD Single : A 77 THR OG1 : rot 89:sc= 0.997 USER MOD Single : B 29 MET CE :methyl -176:sc= -0.169 (180deg=-0.2) USER MOD Single : B 30 SER OG : rot -52:sc= 1.35 USER MOD Single : B 47 HIS : no HD1:sc= -0.997 K(o=-1,f=-0.48) USER MOD Single : B 48 ASN : amide:sc= -3.65! C(o=-3.7!,f=-5.9!) USER MOD Single : B 57 SER OG : rot 86:sc= 0.0823 USER MOD Single : B 60 THR OG1 : rot -112:sc= 2.09 USER MOD Single : B 70 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : B 75 LYS NZ :NH3+ -121:sc= 1.84 (180deg=-0.506) USER MOD Single : B 81 THR OG1 : rot 79:sc= 0.861 USER MOD Single : B 83 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.1) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -161:sc= -0.269 (180deg=-0.801) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.854 -7.752 8.091 1.00 0.00 N ATOM 2 CA THR A 14 -15.161 -6.345 8.416 1.00 0.00 C ATOM 3 C THR A 14 -14.342 -5.389 7.545 1.00 0.00 C ATOM 4 O THR A 14 -13.210 -5.699 7.178 1.00 0.00 O ATOM 5 CB THR A 14 -14.869 -6.064 9.901 1.00 0.00 C ATOM 6 OG1 THR A 14 -15.095 -7.256 10.661 1.00 0.00 O ATOM 7 CG2 THR A 14 -15.755 -4.945 10.429 1.00 0.00 C ATOM 0 HA THR A 14 -16.220 -6.179 8.217 1.00 0.00 H new ATOM 0 HB THR A 14 -13.829 -5.751 9.998 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.037 -8.036 10.071 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.528 -4.767 11.480 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.570 -4.035 9.858 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.802 -5.231 10.327 1.00 0.00 H new ATOM 15 N VAL A 15 -14.930 -4.235 7.220 1.00 0.00 N ATOM 16 CA VAL A 15 -14.266 -3.216 6.395 1.00 0.00 C ATOM 17 C VAL A 15 -12.887 -2.857 6.949 1.00 0.00 C ATOM 18 O VAL A 15 -11.928 -2.688 6.196 1.00 0.00 O ATOM 19 CB VAL A 15 -15.103 -1.922 6.303 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.520 -0.969 5.268 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.555 -2.237 5.982 1.00 0.00 C ATOM 0 H VAL A 15 -15.872 -3.979 7.517 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.160 -3.652 5.402 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.068 -1.431 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.128 -0.065 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.500 -0.707 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.514 -1.452 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.124 -1.309 5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.611 -2.759 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.972 -2.869 6.766 1.00 0.00 H new ATOM 31 N SER A 16 -12.798 -2.765 8.268 1.00 0.00 N ATOM 32 CA SER A 16 -11.557 -2.419 8.942 1.00 0.00 C ATOM 33 C SER A 16 -10.435 -3.407 8.614 1.00 0.00 C ATOM 34 O SER A 16 -9.275 -3.018 8.506 1.00 0.00 O ATOM 35 CB SER A 16 -11.805 -2.376 10.444 1.00 0.00 C ATOM 36 OG SER A 16 -13.182 -2.584 10.721 1.00 0.00 O ATOM 0 H SER A 16 -13.583 -2.928 8.899 1.00 0.00 H new ATOM 0 HA SER A 16 -11.233 -1.440 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.207 -3.141 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.488 -1.413 10.845 1.00 0.00 H new ATOM 0 HG SER A 16 -13.329 -2.556 11.690 1.00 0.00 H new ATOM 42 N GLU A 17 -10.786 -4.678 8.431 1.00 0.00 N ATOM 43 CA GLU A 17 -9.798 -5.706 8.119 1.00 0.00 C ATOM 44 C GLU A 17 -9.277 -5.544 6.701 1.00 0.00 C ATOM 45 O GLU A 17 -8.109 -5.803 6.429 1.00 0.00 O ATOM 46 CB GLU A 17 -10.390 -7.101 8.290 1.00 0.00 C ATOM 47 CG GLU A 17 -11.040 -7.318 9.639 1.00 0.00 C ATOM 48 CD GLU A 17 -11.499 -8.741 9.830 1.00 0.00 C ATOM 49 OE1 GLU A 17 -12.547 -9.115 9.256 1.00 0.00 O ATOM 50 OE2 GLU A 17 -10.819 -9.495 10.547 1.00 0.00 O ATOM 0 H GLU A 17 -11.745 -5.019 8.493 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.969 -5.587 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.129 -7.272 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.602 -7.841 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.333 -7.058 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.893 -6.647 9.741 1.00 0.00 H new ATOM 57 N TRP A 18 -10.147 -5.101 5.802 1.00 0.00 N ATOM 58 CA TRP A 18 -9.765 -4.896 4.415 1.00 0.00 C ATOM 59 C TRP A 18 -8.775 -3.742 4.339 1.00 0.00 C ATOM 60 O TRP A 18 -7.765 -3.811 3.633 1.00 0.00 O ATOM 61 CB TRP A 18 -11.007 -4.625 3.556 1.00 0.00 C ATOM 62 CG TRP A 18 -10.701 -4.381 2.108 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.281 -5.298 1.187 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.795 -3.133 1.418 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.108 -4.693 -0.033 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.415 -3.362 0.084 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.165 -1.843 1.802 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.393 -2.344 -0.867 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.143 -0.835 0.859 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.761 -1.090 -0.462 1.00 0.00 C ATOM 0 H TRP A 18 -11.120 -4.878 6.010 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.287 -5.795 4.025 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.685 -5.475 3.636 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.533 -3.759 3.957 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.110 -6.345 1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.801 -5.158 -0.887 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.463 -1.637 2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.096 -2.538 -1.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.425 0.167 1.146 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.756 -0.281 -1.177 1.00 0.00 H new ATOM 81 N LEU A 19 -9.059 -2.698 5.106 1.00 0.00 N ATOM 82 CA LEU A 19 -8.202 -1.529 5.162 1.00 0.00 C ATOM 83 C LEU A 19 -6.927 -1.851 5.943 1.00 0.00 C ATOM 84 O LEU A 19 -5.884 -1.237 5.726 1.00 0.00 O ATOM 85 CB LEU A 19 -8.967 -0.353 5.782 1.00 0.00 C ATOM 86 CG LEU A 19 -10.076 0.212 4.887 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.086 1.008 5.696 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.481 1.076 3.784 1.00 0.00 C ATOM 0 H LEU A 19 -9.885 -2.641 5.702 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.907 -1.241 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.406 -0.676 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.261 0.444 6.015 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.599 -0.629 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.859 1.395 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.542 0.362 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.583 1.839 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.282 1.469 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.928 1.904 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.806 0.475 3.175 1.00 0.00 H new ATOM 100 N GLU A 20 -7.024 -2.826 6.842 1.00 0.00 N ATOM 101 CA GLU A 20 -5.885 -3.273 7.645 1.00 0.00 C ATOM 102 C GLU A 20 -4.816 -3.907 6.750 1.00 0.00 C ATOM 103 O GLU A 20 -3.639 -3.571 6.851 1.00 0.00 O ATOM 104 CB GLU A 20 -6.364 -4.273 8.713 1.00 0.00 C ATOM 105 CG GLU A 20 -5.257 -5.010 9.461 1.00 0.00 C ATOM 106 CD GLU A 20 -4.140 -4.106 9.946 1.00 0.00 C ATOM 107 OE1 GLU A 20 -4.426 -2.978 10.399 1.00 0.00 O ATOM 108 OE2 GLU A 20 -2.968 -4.537 9.892 1.00 0.00 O ATOM 0 H GLU A 20 -7.890 -3.328 7.036 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.440 -2.412 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.976 -3.738 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.009 -5.010 8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.691 -5.527 10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.836 -5.774 8.807 1.00 0.00 H new ATOM 115 N SER A 21 -5.243 -4.807 5.867 1.00 0.00 N ATOM 116 CA SER A 21 -4.331 -5.507 4.958 1.00 0.00 C ATOM 117 C SER A 21 -3.391 -4.562 4.193 1.00 0.00 C ATOM 118 O SER A 21 -2.176 -4.760 4.199 1.00 0.00 O ATOM 119 CB SER A 21 -5.125 -6.378 3.984 1.00 0.00 C ATOM 120 OG SER A 21 -6.516 -6.363 4.291 1.00 0.00 O ATOM 0 H SER A 21 -6.222 -5.072 5.760 1.00 0.00 H new ATOM 0 HA SER A 21 -3.693 -6.137 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.971 -6.021 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.753 -7.402 4.022 1.00 0.00 H new ATOM 0 HG SER A 21 -6.907 -5.513 3.998 1.00 0.00 H new ATOM 126 N ILE A 22 -3.934 -3.529 3.549 1.00 0.00 N ATOM 127 CA ILE A 22 -3.103 -2.588 2.797 1.00 0.00 C ATOM 128 C ILE A 22 -2.568 -1.473 3.695 1.00 0.00 C ATOM 129 O ILE A 22 -1.948 -0.529 3.214 1.00 0.00 O ATOM 130 CB ILE A 22 -3.874 -1.965 1.615 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.376 -1.877 1.937 1.00 0.00 C ATOM 132 CG2 ILE A 22 -3.630 -2.778 0.354 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.226 -1.296 0.825 1.00 0.00 C ATOM 0 H ILE A 22 -4.933 -3.324 3.532 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.263 -3.162 2.405 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.511 -0.951 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.743 -2.876 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.507 -1.269 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.177 -2.333 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.564 -2.784 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.973 -3.801 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.269 -1.272 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.891 -0.283 0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.130 -1.914 -0.067 1.00 0.00 H new ATOM 145 N LYS A 23 -2.826 -1.595 4.996 1.00 0.00 N ATOM 146 CA LYS A 23 -2.378 -0.625 5.997 1.00 0.00 C ATOM 147 C LYS A 23 -2.936 0.771 5.719 1.00 0.00 C ATOM 148 O LYS A 23 -2.261 1.781 5.911 1.00 0.00 O ATOM 149 CB LYS A 23 -0.844 -0.598 6.092 1.00 0.00 C ATOM 150 CG LYS A 23 -0.256 -1.666 7.019 1.00 0.00 C ATOM 151 CD LYS A 23 -0.991 -1.744 8.351 1.00 0.00 C ATOM 152 CE LYS A 23 -0.250 -2.625 9.345 1.00 0.00 C ATOM 153 NZ LYS A 23 0.821 -1.880 10.063 1.00 0.00 N ATOM 0 H LYS A 23 -3.355 -2.374 5.389 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.770 -0.947 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.427 -0.729 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.530 0.385 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.300 -2.637 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.796 -1.448 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.104 -0.742 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.995 -2.138 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.958 -3.029 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.189 -3.474 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.972 -2.306 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.704 -1.927 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.536 -0.886 10.177 1.00 0.00 H new ATOM 167 N MET A 24 -4.198 0.811 5.313 1.00 0.00 N ATOM 168 CA MET A 24 -4.884 2.062 5.016 1.00 0.00 C ATOM 169 C MET A 24 -5.966 2.287 6.064 1.00 0.00 C ATOM 170 O MET A 24 -7.023 2.859 5.793 1.00 0.00 O ATOM 171 CB MET A 24 -5.496 2.009 3.614 1.00 0.00 C ATOM 172 CG MET A 24 -4.491 1.643 2.536 1.00 0.00 C ATOM 173 SD MET A 24 -3.469 3.035 2.017 1.00 0.00 S ATOM 174 CE MET A 24 -2.099 2.162 1.257 1.00 0.00 C ATOM 0 H MET A 24 -4.774 -0.020 5.180 1.00 0.00 H new ATOM 0 HA MET A 24 -4.174 2.889 5.043 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.308 1.282 3.606 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.934 2.979 3.379 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.847 0.845 2.905 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.023 1.249 1.670 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.454 2.874 0.743 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.526 1.643 2.026 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.483 1.437 0.540 1.00 0.00 H new ATOM 184 N GLN A 25 -5.673 1.824 7.274 1.00 0.00 N ATOM 185 CA GLN A 25 -6.579 1.917 8.411 1.00 0.00 C ATOM 186 C GLN A 25 -6.997 3.354 8.750 1.00 0.00 C ATOM 187 O GLN A 25 -8.110 3.572 9.242 1.00 0.00 O ATOM 188 CB GLN A 25 -5.922 1.267 9.634 1.00 0.00 C ATOM 189 CG GLN A 25 -4.512 1.779 9.903 1.00 0.00 C ATOM 190 CD GLN A 25 -3.836 1.099 11.080 1.00 0.00 C ATOM 191 OE1 GLN A 25 -3.129 1.744 11.853 1.00 0.00 O ATOM 192 NE2 GLN A 25 -4.016 -0.207 11.213 1.00 0.00 N ATOM 0 H GLN A 25 -4.788 1.368 7.495 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.492 1.391 8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.542 1.451 10.512 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.888 0.187 9.489 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.904 1.632 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.553 2.852 10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.609 -0.710 10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.561 -0.709 11.975 1.00 0.00 H new ATOM 201 N GLN A 26 -6.137 4.337 8.491 1.00 0.00 N ATOM 202 CA GLN A 26 -6.450 5.728 8.794 1.00 0.00 C ATOM 203 C GLN A 26 -7.389 6.331 7.752 1.00 0.00 C ATOM 204 O GLN A 26 -7.914 7.425 7.935 1.00 0.00 O ATOM 205 CB GLN A 26 -5.153 6.556 8.867 1.00 0.00 C ATOM 206 CG GLN A 26 -4.395 6.675 7.542 1.00 0.00 C ATOM 207 CD GLN A 26 -3.411 5.538 7.296 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.646 4.398 7.694 1.00 0.00 O ATOM 209 NE2 GLN A 26 -2.302 5.841 6.646 1.00 0.00 N ATOM 0 H GLN A 26 -5.218 4.194 8.072 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.956 5.753 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.397 7.557 9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.493 6.107 9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.114 6.705 6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.855 7.621 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.141 6.798 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.607 5.118 6.459 1.00 0.00 H new ATOM 218 N TYR A 27 -7.606 5.608 6.661 1.00 0.00 N ATOM 219 CA TYR A 27 -8.474 6.087 5.594 1.00 0.00 C ATOM 220 C TYR A 27 -9.934 5.759 5.894 1.00 0.00 C ATOM 221 O TYR A 27 -10.840 6.154 5.156 1.00 0.00 O ATOM 222 CB TYR A 27 -8.043 5.502 4.247 1.00 0.00 C ATOM 223 CG TYR A 27 -6.802 6.167 3.678 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.901 7.344 2.947 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.537 5.623 3.874 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.776 7.959 2.426 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.407 6.233 3.356 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.533 7.400 2.631 1.00 0.00 C ATOM 229 OH TYR A 27 -3.411 8.012 2.114 1.00 0.00 O ATOM 0 H TYR A 27 -7.194 4.690 6.492 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.381 7.172 5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.854 4.435 4.365 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.862 5.604 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.872 7.787 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.434 4.709 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.872 8.874 1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.432 5.798 3.519 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.741 7.332 1.891 1.00 0.00 H new ATOM 239 N THR A 28 -10.160 5.062 7.002 1.00 0.00 N ATOM 240 CA THR A 28 -11.512 4.701 7.413 1.00 0.00 C ATOM 241 C THR A 28 -12.294 5.960 7.778 1.00 0.00 C ATOM 242 O THR A 28 -13.522 6.014 7.642 1.00 0.00 O ATOM 243 CB THR A 28 -11.502 3.737 8.616 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.554 2.687 8.387 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.886 3.141 8.846 1.00 0.00 C ATOM 0 H THR A 28 -9.426 4.736 7.631 1.00 0.00 H new ATOM 0 HA THR A 28 -11.990 4.193 6.575 1.00 0.00 H new ATOM 0 HB THR A 28 -11.217 4.299 9.506 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.706 2.911 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.853 2.464 9.700 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.599 3.942 9.044 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.197 2.590 7.958 1.00 0.00 H new ATOM 253 N GLU A 29 -11.558 6.988 8.187 1.00 0.00 N ATOM 254 CA GLU A 29 -12.150 8.262 8.570 1.00 0.00 C ATOM 255 C GLU A 29 -12.383 9.104 7.323 1.00 0.00 C ATOM 256 O GLU A 29 -12.055 10.290 7.280 1.00 0.00 O ATOM 257 CB GLU A 29 -11.233 9.004 9.544 1.00 0.00 C ATOM 258 CG GLU A 29 -10.863 8.200 10.782 1.00 0.00 C ATOM 259 CD GLU A 29 -10.148 9.038 11.819 1.00 0.00 C ATOM 260 OE1 GLU A 29 -10.826 9.666 12.661 1.00 0.00 O ATOM 261 OE2 GLU A 29 -8.898 9.075 11.799 1.00 0.00 O ATOM 0 H GLU A 29 -10.541 6.961 8.262 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.103 8.080 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.319 9.288 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.722 9.927 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.766 7.776 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.227 7.364 10.492 1.00 0.00 H new ATOM 268 N HIS A 30 -12.979 8.474 6.329 1.00 0.00 N ATOM 269 CA HIS A 30 -13.263 9.099 5.049 1.00 0.00 C ATOM 270 C HIS A 30 -14.107 8.146 4.226 1.00 0.00 C ATOM 271 O HIS A 30 -15.099 8.543 3.618 1.00 0.00 O ATOM 272 CB HIS A 30 -11.969 9.450 4.303 1.00 0.00 C ATOM 273 CG HIS A 30 -11.868 10.904 3.954 1.00 0.00 C ATOM 274 ND1 HIS A 30 -10.887 11.744 4.434 1.00 0.00 N ATOM 275 CD2 HIS A 30 -12.650 11.666 3.146 1.00 0.00 C ATOM 276 CE1 HIS A 30 -11.096 12.960 3.915 1.00 0.00 C ATOM 277 NE2 HIS A 30 -12.154 12.967 3.126 1.00 0.00 N ATOM 0 H HIS A 30 -13.284 7.502 6.387 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.804 10.031 5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.114 9.170 4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.911 8.858 3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.518 11.318 2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.479 13.823 4.116 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.531 13.761 2.609 1.00 0.00 H new ATOM 285 N PHE A 31 -13.708 6.876 4.229 1.00 0.00 N ATOM 286 CA PHE A 31 -14.441 5.829 3.522 1.00 0.00 C ATOM 287 C PHE A 31 -15.863 5.739 4.071 1.00 0.00 C ATOM 288 O PHE A 31 -16.837 5.680 3.318 1.00 0.00 O ATOM 289 CB PHE A 31 -13.741 4.476 3.704 1.00 0.00 C ATOM 290 CG PHE A 31 -12.776 4.115 2.610 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.520 4.696 2.548 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.124 3.177 1.651 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.629 4.350 1.550 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.238 2.829 0.650 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.989 3.414 0.599 1.00 0.00 C ATOM 0 H PHE A 31 -12.875 6.546 4.717 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.471 6.076 2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.206 4.484 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.500 3.696 3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.234 5.428 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.099 2.713 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.653 4.810 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.523 2.099 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.295 3.141 -0.182 1.00 0.00 H new ATOM 305 N MET A 32 -15.967 5.776 5.398 1.00 0.00 N ATOM 306 CA MET A 32 -17.253 5.683 6.080 1.00 0.00 C ATOM 307 C MET A 32 -18.069 6.956 5.898 1.00 0.00 C ATOM 308 O MET A 32 -19.297 6.927 5.955 1.00 0.00 O ATOM 309 CB MET A 32 -17.050 5.433 7.578 1.00 0.00 C ATOM 310 CG MET A 32 -16.319 4.142 7.899 1.00 0.00 C ATOM 311 SD MET A 32 -17.272 2.675 7.472 1.00 0.00 S ATOM 312 CE MET A 32 -16.157 1.381 8.009 1.00 0.00 C ATOM 0 H MET A 32 -15.168 5.871 6.025 1.00 0.00 H new ATOM 0 HA MET A 32 -17.796 4.848 5.637 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.493 6.268 8.002 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.024 5.418 8.068 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.371 4.123 7.361 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.082 4.119 8.963 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.607 0.408 7.811 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.216 1.463 7.466 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.969 1.483 9.078 1.00 0.00 H new ATOM 322 N ALA A 33 -17.386 8.069 5.658 1.00 0.00 N ATOM 323 CA ALA A 33 -18.053 9.352 5.488 1.00 0.00 C ATOM 324 C ALA A 33 -18.610 9.490 4.080 1.00 0.00 C ATOM 325 O ALA A 33 -19.476 10.323 3.821 1.00 0.00 O ATOM 326 CB ALA A 33 -17.091 10.489 5.794 1.00 0.00 C ATOM 0 H ALA A 33 -16.370 8.108 5.577 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.887 9.401 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.602 11.443 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.741 10.403 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.239 10.438 5.116 1.00 0.00 H new ATOM 332 N ALA A 34 -18.106 8.664 3.173 1.00 0.00 N ATOM 333 CA ALA A 34 -18.557 8.680 1.790 1.00 0.00 C ATOM 334 C ALA A 34 -19.801 7.816 1.623 1.00 0.00 C ATOM 335 O ALA A 34 -20.390 7.753 0.546 1.00 0.00 O ATOM 336 CB ALA A 34 -17.446 8.208 0.867 1.00 0.00 C ATOM 0 H ALA A 34 -17.383 7.973 3.372 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.816 9.704 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.798 8.225 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.584 8.868 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -17.158 7.192 1.135 1.00 0.00 H new ATOM 342 N GLY A 35 -20.195 7.147 2.699 1.00 0.00 N ATOM 343 CA GLY A 35 -21.372 6.305 2.658 1.00 0.00 C ATOM 344 C GLY A 35 -21.035 4.833 2.558 1.00 0.00 C ATOM 345 O GLY A 35 -21.908 3.978 2.710 1.00 0.00 O ATOM 0 H GLY A 35 -19.719 7.173 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.968 6.477 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.989 6.591 1.806 1.00 0.00 H new ATOM 349 N TYR A 36 -19.771 4.525 2.317 1.00 0.00 N ATOM 350 CA TYR A 36 -19.341 3.143 2.195 1.00 0.00 C ATOM 351 C TYR A 36 -18.999 2.587 3.573 1.00 0.00 C ATOM 352 O TYR A 36 -17.831 2.464 3.941 1.00 0.00 O ATOM 353 CB TYR A 36 -18.153 3.050 1.231 1.00 0.00 C ATOM 354 CG TYR A 36 -18.442 3.677 -0.119 1.00 0.00 C ATOM 355 CD1 TYR A 36 -19.324 3.075 -1.005 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.853 4.878 -0.500 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.615 3.648 -2.229 1.00 0.00 C ATOM 358 CE2 TYR A 36 -18.135 5.456 -1.727 1.00 0.00 C ATOM 359 CZ TYR A 36 -19.019 4.836 -2.587 1.00 0.00 C ATOM 360 OH TYR A 36 -19.324 5.411 -3.802 1.00 0.00 O ATOM 0 H TYR A 36 -19.026 5.213 2.202 1.00 0.00 H new ATOM 0 HA TYR A 36 -20.149 2.539 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.289 3.542 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.886 2.003 1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.792 2.141 -0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -17.164 5.368 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -20.308 3.165 -2.902 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.666 6.387 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.500 5.721 -4.233 1.00 0.00 H new ATOM 370 N THR A 37 -20.043 2.271 4.330 1.00 0.00 N ATOM 371 CA THR A 37 -19.902 1.757 5.685 1.00 0.00 C ATOM 372 C THR A 37 -19.938 0.231 5.741 1.00 0.00 C ATOM 373 O THR A 37 -19.925 -0.356 6.823 1.00 0.00 O ATOM 374 CB THR A 37 -21.031 2.307 6.574 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.224 2.467 5.789 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.643 3.643 7.190 1.00 0.00 C ATOM 0 H THR A 37 -21.011 2.364 4.021 1.00 0.00 H new ATOM 0 HA THR A 37 -18.928 2.086 6.046 1.00 0.00 H new ATOM 0 HB THR A 37 -21.209 1.597 7.382 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.944 2.816 6.355 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.460 4.007 7.813 1.00 0.00 H new ATOM 0 HG22 THR A 37 -19.749 3.516 7.801 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.441 4.364 6.398 1.00 0.00 H new ATOM 384 N ALA A 38 -19.968 -0.415 4.585 1.00 0.00 N ATOM 385 CA ALA A 38 -20.022 -1.868 4.537 1.00 0.00 C ATOM 386 C ALA A 38 -19.405 -2.390 3.251 1.00 0.00 C ATOM 387 O ALA A 38 -19.344 -1.678 2.248 1.00 0.00 O ATOM 388 CB ALA A 38 -21.454 -2.357 4.688 1.00 0.00 C ATOM 0 H ALA A 38 -19.956 0.041 3.673 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.440 -2.258 5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.473 -3.446 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -21.854 -2.021 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -22.063 -1.955 3.878 1.00 0.00 H new ATOM 394 N ILE A 39 -18.964 -3.644 3.294 1.00 0.00 N ATOM 395 CA ILE A 39 -18.313 -4.298 2.160 1.00 0.00 C ATOM 396 C ILE A 39 -19.151 -4.241 0.882 1.00 0.00 C ATOM 397 O ILE A 39 -18.617 -3.966 -0.195 1.00 0.00 O ATOM 398 CB ILE A 39 -17.993 -5.774 2.486 1.00 0.00 C ATOM 399 CG1 ILE A 39 -17.108 -5.871 3.736 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.323 -6.461 1.301 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.735 -5.250 3.568 1.00 0.00 C ATOM 0 H ILE A 39 -19.048 -4.238 4.119 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.390 -3.746 1.983 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.933 -6.287 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.617 -5.384 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.990 -6.921 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.108 -7.499 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.989 -6.430 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.393 -5.946 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.171 -5.359 4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.205 -5.752 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.841 -4.192 3.330 1.00 0.00 H new ATOM 413 N GLU A 40 -20.457 -4.467 0.996 1.00 0.00 N ATOM 414 CA GLU A 40 -21.329 -4.464 -0.178 1.00 0.00 C ATOM 415 C GLU A 40 -21.346 -3.095 -0.850 1.00 0.00 C ATOM 416 O GLU A 40 -21.451 -2.997 -2.068 1.00 0.00 O ATOM 417 CB GLU A 40 -22.762 -4.922 0.156 1.00 0.00 C ATOM 418 CG GLU A 40 -23.104 -4.976 1.641 1.00 0.00 C ATOM 419 CD GLU A 40 -23.699 -3.681 2.152 1.00 0.00 C ATOM 420 OE1 GLU A 40 -23.004 -2.647 2.123 1.00 0.00 O ATOM 421 OE2 GLU A 40 -24.870 -3.691 2.584 1.00 0.00 O ATOM 0 H GLU A 40 -20.932 -4.653 1.879 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.912 -5.188 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -23.464 -4.249 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.917 -5.913 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.808 -5.789 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.202 -5.206 2.209 1.00 0.00 H new ATOM 428 N LYS A 41 -21.240 -2.040 -0.058 1.00 0.00 N ATOM 429 CA LYS A 41 -21.212 -0.691 -0.602 1.00 0.00 C ATOM 430 C LYS A 41 -19.824 -0.386 -1.155 1.00 0.00 C ATOM 431 O LYS A 41 -19.682 0.282 -2.177 1.00 0.00 O ATOM 432 CB LYS A 41 -21.593 0.332 0.471 1.00 0.00 C ATOM 433 CG LYS A 41 -23.051 0.257 0.889 1.00 0.00 C ATOM 434 CD LYS A 41 -23.245 0.735 2.318 1.00 0.00 C ATOM 435 CE LYS A 41 -24.669 0.498 2.798 1.00 0.00 C ATOM 436 NZ LYS A 41 -25.112 -0.904 2.565 1.00 0.00 N ATOM 0 H LYS A 41 -21.172 -2.090 0.958 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.940 -0.624 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.964 0.179 1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.381 1.334 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.656 0.865 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.405 -0.770 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.548 0.215 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.011 1.798 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.735 0.727 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.344 1.181 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.950 -1.105 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.351 -1.030 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.346 -1.558 2.824 1.00 0.00 H new ATOM 450 N VAL A 42 -18.802 -0.908 -0.482 1.00 0.00 N ATOM 451 CA VAL A 42 -17.416 -0.699 -0.891 1.00 0.00 C ATOM 452 C VAL A 42 -17.155 -1.275 -2.286 1.00 0.00 C ATOM 453 O VAL A 42 -16.443 -0.676 -3.087 1.00 0.00 O ATOM 454 CB VAL A 42 -16.427 -1.329 0.124 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.996 -1.283 -0.394 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.519 -0.623 1.468 1.00 0.00 C ATOM 0 H VAL A 42 -18.909 -1.482 0.354 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.252 0.378 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.708 -2.374 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.328 -1.732 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.930 -1.837 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.704 -0.247 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.818 -1.079 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.273 0.431 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.532 -0.715 1.859 1.00 0.00 H new ATOM 466 N VAL A 43 -17.757 -2.419 -2.588 1.00 0.00 N ATOM 467 CA VAL A 43 -17.561 -3.052 -3.890 1.00 0.00 C ATOM 468 C VAL A 43 -18.343 -2.333 -4.990 1.00 0.00 C ATOM 469 O VAL A 43 -18.118 -2.575 -6.179 1.00 0.00 O ATOM 470 CB VAL A 43 -17.951 -4.547 -3.876 1.00 0.00 C ATOM 471 CG1 VAL A 43 -17.199 -5.284 -2.782 1.00 0.00 C ATOM 472 CG2 VAL A 43 -19.453 -4.723 -3.708 1.00 0.00 C ATOM 0 H VAL A 43 -18.379 -2.925 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.495 -2.976 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.671 -4.976 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.487 -6.335 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -16.127 -5.200 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.443 -4.846 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.696 -5.785 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -19.769 -4.273 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.971 -4.237 -4.535 1.00 0.00 H new ATOM 482 N GLN A 44 -19.247 -1.445 -4.592 1.00 0.00 N ATOM 483 CA GLN A 44 -20.058 -0.695 -5.544 1.00 0.00 C ATOM 484 C GLN A 44 -19.292 0.512 -6.076 1.00 0.00 C ATOM 485 O GLN A 44 -19.569 0.997 -7.173 1.00 0.00 O ATOM 486 CB GLN A 44 -21.368 -0.241 -4.897 1.00 0.00 C ATOM 487 CG GLN A 44 -22.331 -1.381 -4.607 1.00 0.00 C ATOM 488 CD GLN A 44 -23.544 -0.939 -3.811 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.986 0.206 -3.905 1.00 0.00 O ATOM 490 NE2 GLN A 44 -24.092 -1.845 -3.019 1.00 0.00 N ATOM 0 H GLN A 44 -19.437 -1.226 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.290 -1.355 -6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.143 0.279 -3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.857 0.479 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.661 -1.820 -5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.806 -2.162 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.697 -2.784 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.910 -1.605 -2.459 1.00 0.00 H new ATOM 499 N MET A 45 -18.339 0.995 -5.284 1.00 0.00 N ATOM 500 CA MET A 45 -17.521 2.139 -5.680 1.00 0.00 C ATOM 501 C MET A 45 -16.649 1.791 -6.887 1.00 0.00 C ATOM 502 O MET A 45 -16.568 0.626 -7.300 1.00 0.00 O ATOM 503 CB MET A 45 -16.650 2.617 -4.509 1.00 0.00 C ATOM 504 CG MET A 45 -15.340 1.856 -4.356 1.00 0.00 C ATOM 505 SD MET A 45 -14.210 2.633 -3.183 1.00 0.00 S ATOM 506 CE MET A 45 -15.170 2.550 -1.674 1.00 0.00 C ATOM 0 H MET A 45 -18.114 0.613 -4.365 1.00 0.00 H new ATOM 0 HA MET A 45 -18.191 2.951 -5.963 1.00 0.00 H new ATOM 0 HB2 MET A 45 -16.429 3.676 -4.644 1.00 0.00 H new ATOM 0 HB3 MET A 45 -17.221 2.525 -3.585 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.553 0.838 -4.028 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.853 1.782 -5.328 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.446 3.557 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.073 1.964 -1.849 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.577 2.077 -0.891 1.00 0.00 H new ATOM 516 N THR A 46 -15.960 2.786 -7.418 1.00 0.00 N ATOM 517 CA THR A 46 -15.112 2.590 -8.577 1.00 0.00 C ATOM 518 C THR A 46 -13.745 3.235 -8.341 1.00 0.00 C ATOM 519 O THR A 46 -13.492 3.788 -7.270 1.00 0.00 O ATOM 520 CB THR A 46 -15.777 3.160 -9.856 1.00 0.00 C ATOM 521 OG1 THR A 46 -15.109 2.669 -11.028 1.00 0.00 O ATOM 522 CG2 THR A 46 -15.765 4.684 -9.862 1.00 0.00 C ATOM 0 H THR A 46 -15.973 3.742 -7.062 1.00 0.00 H new ATOM 0 HA THR A 46 -14.972 1.519 -8.726 1.00 0.00 H new ATOM 0 HB THR A 46 -16.815 2.826 -9.861 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.540 3.035 -11.828 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.239 5.048 -10.773 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.312 5.056 -8.995 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.736 5.040 -9.822 1.00 0.00 H new ATOM 530 N ASN A 47 -12.868 3.147 -9.337 1.00 0.00 N ATOM 531 CA ASN A 47 -11.522 3.713 -9.247 1.00 0.00 C ATOM 532 C ASN A 47 -11.557 5.194 -8.874 1.00 0.00 C ATOM 533 O ASN A 47 -10.776 5.648 -8.037 1.00 0.00 O ATOM 534 CB ASN A 47 -10.779 3.525 -10.573 1.00 0.00 C ATOM 535 CG ASN A 47 -10.146 2.151 -10.700 1.00 0.00 C ATOM 536 OD1 ASN A 47 -10.836 1.149 -10.892 1.00 0.00 O ATOM 537 ND2 ASN A 47 -8.825 2.095 -10.610 1.00 0.00 N ATOM 0 H ASN A 47 -13.067 2.685 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.992 3.181 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.474 3.678 -11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.005 4.287 -10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.345 1.199 -10.700 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.288 2.947 -10.450 1.00 0.00 H new ATOM 544 N ASP A 48 -12.458 5.941 -9.506 1.00 0.00 N ATOM 545 CA ASP A 48 -12.602 7.375 -9.248 1.00 0.00 C ATOM 546 C ASP A 48 -12.948 7.668 -7.788 1.00 0.00 C ATOM 547 O ASP A 48 -12.432 8.622 -7.208 1.00 0.00 O ATOM 548 CB ASP A 48 -13.681 7.972 -10.152 1.00 0.00 C ATOM 549 CG ASP A 48 -13.676 9.488 -10.132 1.00 0.00 C ATOM 550 OD1 ASP A 48 -12.700 10.087 -10.639 1.00 0.00 O ATOM 551 OD2 ASP A 48 -14.648 10.089 -9.631 1.00 0.00 O ATOM 0 H ASP A 48 -13.104 5.576 -10.205 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.638 7.835 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.529 7.624 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.659 7.610 -9.834 1.00 0.00 H new ATOM 556 N ASP A 49 -13.810 6.836 -7.200 1.00 0.00 N ATOM 557 CA ASP A 49 -14.240 7.013 -5.808 1.00 0.00 C ATOM 558 C ASP A 49 -13.046 7.100 -4.868 1.00 0.00 C ATOM 559 O ASP A 49 -12.985 7.978 -4.008 1.00 0.00 O ATOM 560 CB ASP A 49 -15.139 5.857 -5.359 1.00 0.00 C ATOM 561 CG ASP A 49 -16.557 5.961 -5.883 1.00 0.00 C ATOM 562 OD1 ASP A 49 -17.394 6.619 -5.228 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.839 5.366 -6.940 1.00 0.00 O ATOM 0 H ASP A 49 -14.226 6.030 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.800 7.947 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.703 4.916 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.163 5.827 -4.270 1.00 0.00 H new ATOM 568 N ILE A 50 -12.092 6.213 -5.050 1.00 0.00 N ATOM 569 CA ILE A 50 -10.879 6.149 -4.240 1.00 0.00 C ATOM 570 C ILE A 50 -10.145 7.468 -4.260 1.00 0.00 C ATOM 571 O ILE A 50 -9.592 7.905 -3.246 1.00 0.00 O ATOM 572 CB ILE A 50 -9.948 4.950 -4.690 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.569 3.531 -4.486 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.552 4.973 -3.994 1.00 0.00 C ATOM 575 CD1 ILE A 50 -10.909 3.149 -3.030 1.00 0.00 C ATOM 0 H ILE A 50 -12.132 5.499 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.174 5.955 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.835 5.119 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.480 3.465 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.874 2.791 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.958 4.128 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.038 5.903 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.683 4.905 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.333 2.145 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.002 3.174 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.632 3.858 -2.627 1.00 0.00 H new ATOM 587 N LYS A 51 -10.068 8.072 -5.431 1.00 0.00 N ATOM 588 CA LYS A 51 -9.337 9.318 -5.603 1.00 0.00 C ATOM 589 C LYS A 51 -10.167 10.523 -5.172 1.00 0.00 C ATOM 590 O LYS A 51 -9.649 11.634 -5.054 1.00 0.00 O ATOM 591 CB LYS A 51 -8.914 9.478 -7.065 1.00 0.00 C ATOM 592 CG LYS A 51 -8.176 8.270 -7.621 1.00 0.00 C ATOM 593 CD LYS A 51 -7.864 8.438 -9.100 1.00 0.00 C ATOM 594 CE LYS A 51 -6.799 9.498 -9.332 1.00 0.00 C ATOM 595 NZ LYS A 51 -6.690 9.867 -10.766 1.00 0.00 N ATOM 0 H LYS A 51 -10.505 7.719 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.453 9.274 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.800 9.663 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.276 10.357 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.249 8.122 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.780 7.375 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.527 7.487 -9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.773 8.712 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.036 10.386 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.836 9.129 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.954 10.592 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.439 9.025 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.601 10.243 -11.098 1.00 0.00 H new ATOM 609 N ARG A 52 -11.449 10.309 -4.937 1.00 0.00 N ATOM 610 CA ARG A 52 -12.340 11.388 -4.527 1.00 0.00 C ATOM 611 C ARG A 52 -12.484 11.427 -3.007 1.00 0.00 C ATOM 612 O ARG A 52 -12.578 12.503 -2.409 1.00 0.00 O ATOM 613 CB ARG A 52 -13.711 11.208 -5.187 1.00 0.00 C ATOM 614 CG ARG A 52 -14.801 12.073 -4.587 1.00 0.00 C ATOM 615 CD ARG A 52 -16.158 11.765 -5.197 1.00 0.00 C ATOM 616 NE ARG A 52 -17.238 12.387 -4.435 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.465 13.698 -4.398 1.00 0.00 C ATOM 618 NH1 ARG A 52 -16.757 14.523 -5.158 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.419 14.177 -3.617 1.00 0.00 N ATOM 0 H ARG A 52 -11.900 9.398 -5.022 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.909 12.336 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.624 11.435 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.007 10.162 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.841 11.914 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.560 13.124 -4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.185 12.121 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.308 10.686 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.856 11.779 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.034 14.154 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.936 15.527 -5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.977 13.542 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.596 15.181 -3.586 1.00 0.00 H new ATOM 633 N ILE A 53 -12.491 10.248 -2.389 1.00 0.00 N ATOM 634 CA ILE A 53 -12.630 10.133 -0.939 1.00 0.00 C ATOM 635 C ILE A 53 -11.335 10.482 -0.207 1.00 0.00 C ATOM 636 O ILE A 53 -11.148 10.116 0.952 1.00 0.00 O ATOM 637 CB ILE A 53 -13.088 8.716 -0.525 1.00 0.00 C ATOM 638 CG1 ILE A 53 -12.076 7.662 -0.991 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.471 8.427 -1.089 1.00 0.00 C ATOM 640 CD1 ILE A 53 -12.533 6.238 -0.761 1.00 0.00 C ATOM 0 H ILE A 53 -12.402 9.354 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.394 10.854 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.142 8.670 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.880 7.804 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.133 7.821 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.784 7.426 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.181 9.159 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.441 8.489 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.767 5.548 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.702 6.078 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.460 6.061 -1.306 1.00 0.00 H new ATOM 652 N GLY A 54 -10.434 11.171 -0.889 1.00 0.00 N ATOM 653 CA GLY A 54 -9.190 11.570 -0.275 1.00 0.00 C ATOM 654 C GLY A 54 -7.992 11.127 -1.080 1.00 0.00 C ATOM 655 O GLY A 54 -7.573 11.840 -1.988 1.00 0.00 O ATOM 0 H GLY A 54 -10.545 11.461 -1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.172 12.654 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.129 11.147 0.728 1.00 0.00 H new ATOM 659 N VAL A 55 -7.472 9.947 -0.716 1.00 0.00 N ATOM 660 CA VAL A 55 -6.302 9.293 -1.338 1.00 0.00 C ATOM 661 C VAL A 55 -5.800 9.958 -2.626 1.00 0.00 C ATOM 662 O VAL A 55 -6.112 9.508 -3.729 1.00 0.00 O ATOM 663 CB VAL A 55 -6.606 7.811 -1.654 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.322 6.999 -1.685 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.590 7.220 -0.652 1.00 0.00 C ATOM 0 H VAL A 55 -7.866 9.397 0.048 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.512 9.392 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.070 7.768 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.555 5.958 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.659 7.396 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.829 7.060 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.782 6.177 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.168 7.280 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.525 7.780 -0.687 1.00 0.00 H new ATOM 675 N ARG A 56 -5.018 11.027 -2.486 1.00 0.00 N ATOM 676 CA ARG A 56 -4.471 11.723 -3.647 1.00 0.00 C ATOM 677 C ARG A 56 -3.130 11.116 -4.061 1.00 0.00 C ATOM 678 O ARG A 56 -2.651 11.347 -5.170 1.00 0.00 O ATOM 679 CB ARG A 56 -4.305 13.220 -3.357 1.00 0.00 C ATOM 680 CG ARG A 56 -3.292 13.534 -2.269 1.00 0.00 C ATOM 681 CD ARG A 56 -2.218 14.484 -2.771 1.00 0.00 C ATOM 682 NE ARG A 56 -1.367 14.964 -1.684 1.00 0.00 N ATOM 683 CZ ARG A 56 -0.043 15.099 -1.769 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.591 14.821 -2.903 1.00 0.00 N ATOM 685 NH2 ARG A 56 0.636 15.527 -0.717 1.00 0.00 N ATOM 0 H ARG A 56 -4.751 11.427 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.175 11.605 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.004 13.725 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.272 13.632 -3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.801 13.977 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.830 12.610 -1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.605 13.978 -3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.687 15.333 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.815 15.212 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.065 14.502 -3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.604 14.927 -2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.146 15.751 0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.649 15.633 -0.773 1.00 0.00 H new ATOM 699 N LEU A 57 -2.531 10.338 -3.164 1.00 0.00 N ATOM 700 CA LEU A 57 -1.250 9.696 -3.441 1.00 0.00 C ATOM 701 C LEU A 57 -1.458 8.496 -4.371 1.00 0.00 C ATOM 702 O LEU A 57 -2.168 7.556 -4.018 1.00 0.00 O ATOM 703 CB LEU A 57 -0.578 9.243 -2.136 1.00 0.00 C ATOM 704 CG LEU A 57 -0.403 10.331 -1.067 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.402 9.804 0.115 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.274 11.559 -1.651 1.00 0.00 C ATOM 0 H LEU A 57 -2.912 10.137 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.597 10.419 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.166 8.430 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.403 8.834 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.395 10.615 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.513 10.592 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.118 8.955 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.387 9.487 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.387 12.316 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.256 11.285 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.335 11.959 -2.462 1.00 0.00 H new ATOM 718 N PRO A 58 -0.835 8.514 -5.567 1.00 0.00 N ATOM 719 CA PRO A 58 -0.972 7.434 -6.565 1.00 0.00 C ATOM 720 C PRO A 58 -0.608 6.053 -6.025 1.00 0.00 C ATOM 721 O PRO A 58 -1.269 5.060 -6.336 1.00 0.00 O ATOM 722 CB PRO A 58 0.003 7.842 -7.681 1.00 0.00 C ATOM 723 CG PRO A 58 0.890 8.873 -7.070 1.00 0.00 C ATOM 724 CD PRO A 58 0.050 9.585 -6.052 1.00 0.00 C ATOM 0 HA PRO A 58 -2.008 7.335 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.579 6.986 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.531 8.243 -8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.761 8.413 -6.605 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.261 9.566 -7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.655 10.007 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.512 10.408 -6.493 1.00 0.00 H new ATOM 732 N GLY A 59 0.443 5.992 -5.219 1.00 0.00 N ATOM 733 CA GLY A 59 0.859 4.729 -4.655 1.00 0.00 C ATOM 734 C GLY A 59 -0.181 4.142 -3.724 1.00 0.00 C ATOM 735 O GLY A 59 -0.510 2.958 -3.819 1.00 0.00 O ATOM 0 H GLY A 59 1.012 6.794 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.061 4.023 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.793 4.867 -4.111 1.00 0.00 H new ATOM 739 N HIS A 60 -0.720 4.973 -2.836 1.00 0.00 N ATOM 740 CA HIS A 60 -1.741 4.523 -1.898 1.00 0.00 C ATOM 741 C HIS A 60 -2.975 4.083 -2.672 1.00 0.00 C ATOM 742 O HIS A 60 -3.698 3.175 -2.259 1.00 0.00 O ATOM 743 CB HIS A 60 -2.128 5.651 -0.936 1.00 0.00 C ATOM 744 CG HIS A 60 -1.202 5.854 0.232 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.482 5.441 1.519 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.005 6.489 0.302 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.478 5.843 2.310 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.445 6.482 1.617 1.00 0.00 N ATOM 0 H HIS A 60 -0.467 5.957 -2.747 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.341 3.690 -1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.183 6.582 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.129 5.451 -0.553 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.308 4.921 1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.517 6.931 -0.534 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.431 5.667 3.375 1.00 0.00 H new ATOM 756 N GLN A 61 -3.191 4.738 -3.808 1.00 0.00 N ATOM 757 CA GLN A 61 -4.338 4.439 -4.669 1.00 0.00 C ATOM 758 C GLN A 61 -4.252 3.002 -5.162 1.00 0.00 C ATOM 759 O GLN A 61 -5.105 2.176 -4.847 1.00 0.00 O ATOM 760 CB GLN A 61 -4.387 5.403 -5.867 1.00 0.00 C ATOM 761 CG GLN A 61 -5.082 6.725 -5.567 1.00 0.00 C ATOM 762 CD GLN A 61 -4.698 7.828 -6.539 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.284 7.569 -7.668 1.00 0.00 O ATOM 764 NE2 GLN A 61 -4.855 9.071 -6.112 1.00 0.00 N ATOM 0 H GLN A 61 -2.587 5.482 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.251 4.567 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.369 5.606 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.901 4.913 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.162 6.578 -5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.834 7.038 -4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.201 9.246 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.630 9.854 -6.726 1.00 0.00 H new ATOM 773 N LYS A 62 -3.241 2.750 -5.983 1.00 0.00 N ATOM 774 CA LYS A 62 -2.969 1.420 -6.531 1.00 0.00 C ATOM 775 C LYS A 62 -3.200 0.295 -5.519 1.00 0.00 C ATOM 776 O LYS A 62 -3.840 -0.701 -5.844 1.00 0.00 O ATOM 777 CB LYS A 62 -1.540 1.347 -7.049 1.00 0.00 C ATOM 778 CG LYS A 62 -1.356 0.302 -8.130 1.00 0.00 C ATOM 779 CD LYS A 62 0.086 0.212 -8.573 1.00 0.00 C ATOM 780 CE LYS A 62 0.198 -0.401 -9.954 1.00 0.00 C ATOM 781 NZ LYS A 62 1.614 -0.549 -10.373 1.00 0.00 N ATOM 0 H LYS A 62 -2.581 3.464 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.676 1.273 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.251 2.322 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.869 1.125 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.685 -0.669 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.986 0.547 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.531 1.207 -8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.652 -0.387 -7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.288 -1.377 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.332 0.223 -10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.654 -1.003 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.061 0.389 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.121 -1.137 -9.681 1.00 0.00 H new ATOM 795 N ARG A 63 -2.689 0.456 -4.301 1.00 0.00 N ATOM 796 CA ARG A 63 -2.862 -0.561 -3.265 1.00 0.00 C ATOM 797 C ARG A 63 -4.349 -0.797 -2.973 1.00 0.00 C ATOM 798 O ARG A 63 -4.809 -1.940 -2.908 1.00 0.00 O ATOM 799 CB ARG A 63 -2.127 -0.158 -1.980 1.00 0.00 C ATOM 800 CG ARG A 63 -0.705 -0.702 -1.885 1.00 0.00 C ATOM 801 CD ARG A 63 0.303 0.233 -2.537 1.00 0.00 C ATOM 802 NE ARG A 63 1.210 -0.479 -3.439 1.00 0.00 N ATOM 803 CZ ARG A 63 1.665 0.023 -4.586 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.309 1.237 -4.983 1.00 0.00 N ATOM 805 NH2 ARG A 63 2.480 -0.689 -5.344 1.00 0.00 N ATOM 0 H ARG A 63 -2.155 1.274 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.431 -1.492 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.094 0.930 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.698 -0.510 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.441 -0.848 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.657 -1.680 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.227 1.007 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.883 0.737 -1.764 1.00 0.00 H new ATOM 0 HE ARG A 63 1.512 -1.416 -3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.680 1.798 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.664 1.610 -5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.762 -1.625 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.827 -0.303 -6.222 1.00 0.00 H new ATOM 819 N ILE A 64 -5.097 0.289 -2.818 1.00 0.00 N ATOM 820 CA ILE A 64 -6.530 0.205 -2.545 1.00 0.00 C ATOM 821 C ILE A 64 -7.286 -0.338 -3.761 1.00 0.00 C ATOM 822 O ILE A 64 -8.146 -1.210 -3.628 1.00 0.00 O ATOM 823 CB ILE A 64 -7.117 1.578 -2.137 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.441 2.078 -0.856 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.626 1.479 -1.940 1.00 0.00 C ATOM 826 CD1 ILE A 64 -6.817 3.494 -0.470 1.00 0.00 C ATOM 0 H ILE A 64 -4.736 1.241 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.656 -0.483 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.924 2.292 -2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.700 1.408 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.360 2.022 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.020 2.454 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.094 1.157 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.844 0.755 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.297 3.772 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.532 4.177 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.893 3.553 -0.308 1.00 0.00 H new ATOM 838 N ALA A 65 -6.949 0.173 -4.942 1.00 0.00 N ATOM 839 CA ALA A 65 -7.585 -0.262 -6.184 1.00 0.00 C ATOM 840 C ALA A 65 -7.361 -1.747 -6.418 1.00 0.00 C ATOM 841 O ALA A 65 -8.255 -2.460 -6.875 1.00 0.00 O ATOM 842 CB ALA A 65 -7.053 0.534 -7.365 1.00 0.00 C ATOM 0 H ALA A 65 -6.236 0.892 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.656 -0.083 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.539 0.195 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.262 1.593 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.976 0.385 -7.449 1.00 0.00 H new ATOM 848 N TYR A 66 -6.164 -2.205 -6.097 1.00 0.00 N ATOM 849 CA TYR A 66 -5.809 -3.597 -6.271 1.00 0.00 C ATOM 850 C TYR A 66 -6.623 -4.466 -5.311 1.00 0.00 C ATOM 851 O TYR A 66 -7.115 -5.529 -5.689 1.00 0.00 O ATOM 852 CB TYR A 66 -4.301 -3.769 -6.063 1.00 0.00 C ATOM 853 CG TYR A 66 -3.741 -5.060 -6.605 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.871 -5.390 -7.949 1.00 0.00 C ATOM 855 CD2 TYR A 66 -3.075 -5.945 -5.772 1.00 0.00 C ATOM 856 CE1 TYR A 66 -3.353 -6.571 -8.444 1.00 0.00 C ATOM 857 CE2 TYR A 66 -2.554 -7.126 -6.258 1.00 0.00 C ATOM 858 CZ TYR A 66 -2.696 -7.435 -7.594 1.00 0.00 C ATOM 859 OH TYR A 66 -2.177 -8.612 -8.081 1.00 0.00 O ATOM 0 H TYR A 66 -5.418 -1.626 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.046 -3.920 -7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.784 -2.935 -6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.085 -3.713 -4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.384 -4.713 -8.616 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.962 -5.706 -4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.462 -6.816 -9.490 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.038 -7.805 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.745 -9.105 -7.353 1.00 0.00 H new ATOM 869 N SER A 67 -6.789 -3.996 -4.078 1.00 0.00 N ATOM 870 CA SER A 67 -7.570 -4.729 -3.085 1.00 0.00 C ATOM 871 C SER A 67 -9.059 -4.744 -3.455 1.00 0.00 C ATOM 872 O SER A 67 -9.780 -5.686 -3.114 1.00 0.00 O ATOM 873 CB SER A 67 -7.383 -4.122 -1.694 1.00 0.00 C ATOM 874 OG SER A 67 -6.014 -3.898 -1.413 1.00 0.00 O ATOM 0 H SER A 67 -6.396 -3.116 -3.743 1.00 0.00 H new ATOM 0 HA SER A 67 -7.208 -5.757 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.929 -3.181 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.807 -4.789 -0.943 1.00 0.00 H new ATOM 0 HG SER A 67 -5.710 -3.096 -1.887 1.00 0.00 H new ATOM 880 N LEU A 68 -9.521 -3.700 -4.147 1.00 0.00 N ATOM 881 CA LEU A 68 -10.920 -3.607 -4.561 1.00 0.00 C ATOM 882 C LEU A 68 -11.269 -4.678 -5.586 1.00 0.00 C ATOM 883 O LEU A 68 -12.380 -5.211 -5.578 1.00 0.00 O ATOM 884 CB LEU A 68 -11.221 -2.225 -5.146 1.00 0.00 C ATOM 885 CG LEU A 68 -11.606 -1.151 -4.127 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.633 0.219 -4.783 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.958 -1.465 -3.503 1.00 0.00 C ATOM 0 H LEU A 68 -8.945 -2.908 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.531 -3.764 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.344 -1.883 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.031 -2.324 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.855 -1.143 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.909 0.971 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.646 0.450 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.363 0.221 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.214 -0.690 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.719 -1.501 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.910 -2.430 -2.998 1.00 0.00 H new ATOM 899 N LEU A 69 -10.324 -4.987 -6.469 1.00 0.00 N ATOM 900 CA LEU A 69 -10.543 -6.003 -7.491 1.00 0.00 C ATOM 901 C LEU A 69 -10.822 -7.343 -6.831 1.00 0.00 C ATOM 902 O LEU A 69 -11.667 -8.115 -7.291 1.00 0.00 O ATOM 903 CB LEU A 69 -9.331 -6.114 -8.417 1.00 0.00 C ATOM 904 CG LEU A 69 -8.835 -4.787 -8.993 1.00 0.00 C ATOM 905 CD1 LEU A 69 -7.643 -5.015 -9.907 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.958 -4.078 -9.736 1.00 0.00 C ATOM 0 H LEU A 69 -9.403 -4.550 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.404 -5.711 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.514 -6.582 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.583 -6.780 -9.242 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.514 -4.149 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.304 -4.060 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.835 -5.479 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.934 -5.670 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.589 -3.135 -10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.310 -4.709 -10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.781 -3.881 -9.049 1.00 0.00 H new ATOM 918 N GLY A 70 -10.110 -7.601 -5.742 1.00 0.00 N ATOM 919 CA GLY A 70 -10.295 -8.830 -5.006 1.00 0.00 C ATOM 920 C GLY A 70 -11.677 -8.906 -4.393 1.00 0.00 C ATOM 921 O GLY A 70 -12.325 -9.943 -4.442 1.00 0.00 O ATOM 0 H GLY A 70 -9.404 -6.975 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.143 -9.680 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.543 -8.902 -4.220 1.00 0.00 H new ATOM 925 N LEU A 71 -12.127 -7.792 -3.824 1.00 0.00 N ATOM 926 CA LEU A 71 -13.449 -7.727 -3.206 1.00 0.00 C ATOM 927 C LEU A 71 -14.541 -8.010 -4.229 1.00 0.00 C ATOM 928 O LEU A 71 -15.457 -8.794 -3.971 1.00 0.00 O ATOM 929 CB LEU A 71 -13.687 -6.357 -2.572 1.00 0.00 C ATOM 930 CG LEU A 71 -13.096 -6.157 -1.176 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.595 -4.852 -0.582 1.00 0.00 C ATOM 932 CD2 LEU A 71 -13.447 -7.326 -0.265 1.00 0.00 C ATOM 0 H LEU A 71 -11.597 -6.922 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.486 -8.489 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.274 -5.595 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.762 -6.184 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.010 -6.113 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.169 -4.718 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.293 -4.022 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.682 -4.877 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.015 -7.160 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.531 -7.407 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.047 -8.248 -0.686 1.00 0.00 H new ATOM 944 N LYS A 72 -14.436 -7.373 -5.391 1.00 0.00 N ATOM 945 CA LYS A 72 -15.415 -7.562 -6.454 1.00 0.00 C ATOM 946 C LYS A 72 -15.395 -9.015 -6.929 1.00 0.00 C ATOM 947 O LYS A 72 -16.439 -9.607 -7.197 1.00 0.00 O ATOM 948 CB LYS A 72 -15.141 -6.596 -7.614 1.00 0.00 C ATOM 949 CG LYS A 72 -15.328 -5.127 -7.241 1.00 0.00 C ATOM 950 CD LYS A 72 -15.045 -4.202 -8.420 1.00 0.00 C ATOM 951 CE LYS A 72 -14.983 -2.736 -7.994 1.00 0.00 C ATOM 952 NZ LYS A 72 -16.301 -2.048 -8.124 1.00 0.00 N ATOM 0 H LYS A 72 -13.684 -6.723 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.409 -7.342 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.121 -6.746 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.805 -6.839 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.348 -4.968 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.664 -4.875 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.100 -4.485 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.822 -4.328 -9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.645 -2.675 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.243 -2.215 -8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.223 -1.077 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.581 -2.021 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.018 -2.566 -7.578 1.00 0.00 H new ATOM 966 N ASP A 73 -14.199 -9.581 -7.026 1.00 0.00 N ATOM 967 CA ASP A 73 -14.031 -10.974 -7.437 1.00 0.00 C ATOM 968 C ASP A 73 -14.642 -11.922 -6.405 1.00 0.00 C ATOM 969 O ASP A 73 -15.334 -12.876 -6.758 1.00 0.00 O ATOM 970 CB ASP A 73 -12.542 -11.285 -7.613 1.00 0.00 C ATOM 971 CG ASP A 73 -12.269 -12.734 -7.965 1.00 0.00 C ATOM 972 OD1 ASP A 73 -12.708 -13.182 -9.045 1.00 0.00 O ATOM 973 OD2 ASP A 73 -11.586 -13.423 -7.178 1.00 0.00 O ATOM 0 H ASP A 73 -13.325 -9.096 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.547 -11.120 -8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.135 -10.645 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.015 -11.037 -6.692 1.00 0.00 H new ATOM 978 N GLN A 74 -14.401 -11.631 -5.129 1.00 0.00 N ATOM 979 CA GLN A 74 -14.908 -12.453 -4.033 1.00 0.00 C ATOM 980 C GLN A 74 -16.433 -12.473 -3.989 1.00 0.00 C ATOM 981 O GLN A 74 -17.034 -13.509 -3.703 1.00 0.00 O ATOM 982 CB GLN A 74 -14.365 -11.953 -2.691 1.00 0.00 C ATOM 983 CG GLN A 74 -12.875 -12.193 -2.504 1.00 0.00 C ATOM 984 CD GLN A 74 -12.538 -13.643 -2.215 1.00 0.00 C ATOM 985 OE1 GLN A 74 -13.249 -14.557 -2.623 1.00 0.00 O ATOM 986 NE2 GLN A 74 -11.437 -13.861 -1.516 1.00 0.00 N ATOM 0 H GLN A 74 -13.853 -10.825 -4.827 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.562 -13.471 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.565 -10.885 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.907 -12.446 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.346 -11.875 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.513 -11.572 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.873 -13.074 -1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.152 -14.816 -1.298 1.00 0.00 H new ATOM 995 N VAL A 75 -17.064 -11.340 -4.284 1.00 0.00 N ATOM 996 CA VAL A 75 -18.521 -11.257 -4.255 1.00 0.00 C ATOM 997 C VAL A 75 -19.141 -11.935 -5.483 1.00 0.00 C ATOM 998 O VAL A 75 -20.352 -12.146 -5.543 1.00 0.00 O ATOM 999 CB VAL A 75 -18.999 -9.786 -4.152 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.997 -9.097 -5.509 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -20.377 -9.708 -3.509 1.00 0.00 C ATOM 0 H VAL A 75 -16.594 -10.473 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.858 -11.788 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.291 -9.257 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -19.338 -8.068 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.987 -9.101 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.665 -9.628 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.691 -8.666 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -21.092 -10.268 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.335 -10.134 -2.507 1.00 0.00 H new ATOM 1011 N ASN A 76 -18.302 -12.290 -6.451 1.00 0.00 N ATOM 1012 CA ASN A 76 -18.774 -12.952 -7.665 1.00 0.00 C ATOM 1013 C ASN A 76 -18.768 -14.464 -7.481 1.00 0.00 C ATOM 1014 O ASN A 76 -19.319 -15.204 -8.297 1.00 0.00 O ATOM 1015 CB ASN A 76 -17.906 -12.569 -8.869 1.00 0.00 C ATOM 1016 CG ASN A 76 -18.474 -11.400 -9.652 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -19.204 -11.582 -10.628 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -18.140 -10.189 -9.239 1.00 0.00 N ATOM 0 H ASN A 76 -17.295 -12.132 -6.420 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.795 -12.621 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.903 -12.317 -8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -17.808 -13.430 -9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -18.489 -9.367 -9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.533 -10.076 -8.427 1.00 0.00 H new ATOM 1025 N THR A 77 -18.136 -14.915 -6.406 1.00 0.00 N ATOM 1026 CA THR A 77 -18.056 -16.334 -6.098 1.00 0.00 C ATOM 1027 C THR A 77 -19.415 -16.864 -5.652 1.00 0.00 C ATOM 1028 O THR A 77 -20.032 -16.327 -4.729 1.00 0.00 O ATOM 1029 CB THR A 77 -17.020 -16.601 -4.992 1.00 0.00 C ATOM 1030 OG1 THR A 77 -15.956 -15.645 -5.083 1.00 0.00 O ATOM 1031 CG2 THR A 77 -16.451 -18.008 -5.103 1.00 0.00 C ATOM 0 H THR A 77 -17.668 -14.312 -5.729 1.00 0.00 H new ATOM 0 HA THR A 77 -17.746 -16.851 -7.006 1.00 0.00 H new ATOM 0 HB THR A 77 -17.519 -16.506 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.184 -14.851 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.722 -18.169 -4.309 1.00 0.00 H new ATOM 0 HG22 THR A 77 -17.257 -18.735 -5.008 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.966 -18.129 -6.072 1.00 0.00 H new ATOM 1039 N VAL A 78 -19.879 -17.909 -6.318 1.00 0.00 N ATOM 1040 CA VAL A 78 -21.163 -18.508 -5.994 1.00 0.00 C ATOM 1041 C VAL A 78 -21.063 -19.358 -4.730 1.00 0.00 C ATOM 1042 O VAL A 78 -22.120 -19.677 -4.142 1.00 0.00 O ATOM 1043 CB VAL A 78 -21.705 -19.367 -7.158 1.00 0.00 C ATOM 1044 CG1 VAL A 78 -21.772 -18.551 -8.439 1.00 0.00 C ATOM 1045 CG2 VAL A 78 -20.860 -20.619 -7.358 1.00 0.00 C ATOM 1046 OXT VAL A 78 -19.932 -19.693 -4.326 1.00 0.00 O ATOM 0 H VAL A 78 -19.385 -18.360 -7.087 1.00 0.00 H new ATOM 0 HA VAL A 78 -21.862 -17.689 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 78 -22.715 -19.685 -6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -22.156 -19.173 -9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -22.434 -17.697 -8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -20.774 -18.196 -8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.266 -21.204 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -19.833 -20.332 -7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.876 -21.218 -6.447 1.00 0.00 H new TER 1056 VAL A 78 ATOM 1057 N GLY B 28 8.861 6.512 11.156 1.00 0.00 N ATOM 1058 CA GLY B 28 9.666 6.414 9.916 1.00 0.00 C ATOM 1059 C GLY B 28 10.570 5.202 9.926 1.00 0.00 C ATOM 1060 O GLY B 28 10.694 4.524 10.943 1.00 0.00 O ATOM 0 HA2 GLY B 28 9.001 6.364 9.054 1.00 0.00 H new ATOM 0 HA3 GLY B 28 10.268 7.315 9.802 1.00 0.00 H new ATOM 1064 N MET B 29 11.214 4.936 8.801 1.00 0.00 N ATOM 1065 CA MET B 29 12.103 3.791 8.682 1.00 0.00 C ATOM 1066 C MET B 29 13.475 4.218 8.174 1.00 0.00 C ATOM 1067 O MET B 29 14.209 3.418 7.595 1.00 0.00 O ATOM 1068 CB MET B 29 11.499 2.735 7.752 1.00 0.00 C ATOM 1069 CG MET B 29 11.222 3.236 6.344 1.00 0.00 C ATOM 1070 SD MET B 29 10.896 1.895 5.187 1.00 0.00 S ATOM 1071 CE MET B 29 10.354 2.815 3.751 1.00 0.00 C ATOM 0 H MET B 29 11.137 5.500 7.954 1.00 0.00 H new ATOM 0 HA MET B 29 12.225 3.355 9.673 1.00 0.00 H new ATOM 0 HB2 MET B 29 12.178 1.884 7.697 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.568 2.372 8.187 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.366 3.911 6.364 1.00 0.00 H new ATOM 0 HG3 MET B 29 12.076 3.815 5.993 1.00 0.00 H new ATOM 0 HE1 MET B 29 10.046 2.121 2.969 1.00 0.00 H new ATOM 0 HE2 MET B 29 9.512 3.451 4.023 1.00 0.00 H new ATOM 0 HE3 MET B 29 11.173 3.434 3.385 1.00 0.00 H new ATOM 1081 N SER B 30 13.820 5.481 8.400 1.00 0.00 N ATOM 1082 CA SER B 30 15.110 6.007 7.973 1.00 0.00 C ATOM 1083 C SER B 30 16.242 5.214 8.627 1.00 0.00 C ATOM 1084 O SER B 30 17.136 4.715 7.946 1.00 0.00 O ATOM 1085 CB SER B 30 15.207 7.489 8.336 1.00 0.00 C ATOM 1086 OG SER B 30 13.914 8.056 8.486 1.00 0.00 O ATOM 0 H SER B 30 13.224 6.158 8.876 1.00 0.00 H new ATOM 0 HA SER B 30 15.202 5.906 6.892 1.00 0.00 H new ATOM 0 HB2 SER B 30 15.770 7.605 9.262 1.00 0.00 H new ATOM 0 HB3 SER B 30 15.756 8.023 7.560 1.00 0.00 H new ATOM 0 HG SER B 30 13.375 7.855 7.693 1.00 0.00 H new ATOM 1092 N ALA B 31 16.189 5.112 9.955 1.00 0.00 N ATOM 1093 CA ALA B 31 17.181 4.356 10.722 1.00 0.00 C ATOM 1094 C ALA B 31 17.273 2.912 10.233 1.00 0.00 C ATOM 1095 O ALA B 31 18.345 2.308 10.235 1.00 0.00 O ATOM 1096 CB ALA B 31 16.828 4.384 12.200 1.00 0.00 C ATOM 0 H ALA B 31 15.464 5.547 10.526 1.00 0.00 H new ATOM 0 HA ALA B 31 18.153 4.826 10.575 1.00 0.00 H new ATOM 0 HB1 ALA B 31 17.571 3.819 12.762 1.00 0.00 H new ATOM 0 HB2 ALA B 31 16.814 5.416 12.551 1.00 0.00 H new ATOM 0 HB3 ALA B 31 15.845 3.937 12.348 1.00 0.00 H new ATOM 1102 N TRP B 32 16.136 2.377 9.811 1.00 0.00 N ATOM 1103 CA TRP B 32 16.047 1.012 9.308 1.00 0.00 C ATOM 1104 C TRP B 32 16.783 0.897 7.973 1.00 0.00 C ATOM 1105 O TRP B 32 17.625 0.019 7.782 1.00 0.00 O ATOM 1106 CB TRP B 32 14.566 0.645 9.148 1.00 0.00 C ATOM 1107 CG TRP B 32 14.291 -0.813 8.936 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.057 -1.752 9.898 1.00 0.00 C ATOM 1109 CD2 TRP B 32 14.193 -1.493 7.678 1.00 0.00 C ATOM 1110 NE1 TRP B 32 13.817 -2.973 9.317 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.899 -2.840 7.957 1.00 0.00 C ATOM 1112 CE3 TRP B 32 14.324 -1.092 6.346 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.735 -3.788 6.951 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 14.162 -2.034 5.349 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.870 -3.368 5.656 1.00 0.00 C ATOM 0 H TRP B 32 15.247 2.878 9.807 1.00 0.00 H new ATOM 0 HA TRP B 32 16.516 0.322 10.009 1.00 0.00 H new ATOM 0 HB2 TRP B 32 14.028 0.975 10.037 1.00 0.00 H new ATOM 0 HB3 TRP B 32 14.159 1.202 8.304 1.00 0.00 H new ATOM 0 HD1 TRP B 32 14.060 -1.563 10.961 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.611 -3.838 9.817 1.00 0.00 H new ATOM 0 HE3 TRP B 32 14.548 -0.064 6.101 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.509 -4.818 7.184 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 14.262 -1.736 4.316 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.749 -4.081 4.854 1.00 0.00 H new ATOM 1126 N LEU B 33 16.459 1.803 7.057 1.00 0.00 N ATOM 1127 CA LEU B 33 17.081 1.829 5.735 1.00 0.00 C ATOM 1128 C LEU B 33 18.568 2.164 5.823 1.00 0.00 C ATOM 1129 O LEU B 33 19.359 1.738 4.979 1.00 0.00 O ATOM 1130 CB LEU B 33 16.366 2.829 4.830 1.00 0.00 C ATOM 1131 CG LEU B 33 15.018 2.363 4.281 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.313 3.505 3.573 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.200 1.183 3.335 1.00 0.00 C ATOM 0 H LEU B 33 15.764 2.535 7.206 1.00 0.00 H new ATOM 0 HA LEU B 33 16.988 0.832 5.305 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.213 3.754 5.387 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.019 3.067 3.991 1.00 0.00 H new ATOM 0 HG LEU B 33 14.401 2.038 5.118 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.354 3.158 3.187 1.00 0.00 H new ATOM 0 HD12 LEU B 33 14.147 4.322 4.276 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.930 3.857 2.747 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.228 0.867 2.956 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.836 1.480 2.501 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.667 0.356 3.870 1.00 0.00 H new ATOM 1145 N ARG B 34 18.941 2.952 6.833 1.00 0.00 N ATOM 1146 CA ARG B 34 20.340 3.332 7.063 1.00 0.00 C ATOM 1147 C ARG B 34 21.239 2.113 7.304 1.00 0.00 C ATOM 1148 O ARG B 34 22.462 2.235 7.366 1.00 0.00 O ATOM 1149 CB ARG B 34 20.434 4.276 8.265 1.00 0.00 C ATOM 1150 CG ARG B 34 21.775 4.979 8.386 1.00 0.00 C ATOM 1151 CD ARG B 34 21.670 6.441 7.996 1.00 0.00 C ATOM 1152 NE ARG B 34 20.847 7.195 8.937 1.00 0.00 N ATOM 1153 CZ ARG B 34 20.342 8.399 8.686 1.00 0.00 C ATOM 1154 NH1 ARG B 34 20.539 8.976 7.507 1.00 0.00 N ATOM 1155 NH2 ARG B 34 19.622 9.017 9.612 1.00 0.00 N ATOM 0 H ARG B 34 18.288 3.344 7.512 1.00 0.00 H new ATOM 0 HA ARG B 34 20.691 3.834 6.161 1.00 0.00 H new ATOM 0 HB2 ARG B 34 19.646 5.026 8.189 1.00 0.00 H new ATOM 0 HB3 ARG B 34 20.248 3.709 9.177 1.00 0.00 H new ATOM 0 HG2 ARG B 34 22.138 4.899 9.411 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.507 4.482 7.749 1.00 0.00 H new ATOM 0 HD2 ARG B 34 22.667 6.879 7.954 1.00 0.00 H new ATOM 0 HD3 ARG B 34 21.244 6.521 6.996 1.00 0.00 H new ATOM 0 HE ARG B 34 20.647 6.772 9.843 1.00 0.00 H new ATOM 0 HH11 ARG B 34 21.080 8.496 6.788 1.00 0.00 H new ATOM 0 HH12 ARG B 34 20.149 9.900 7.320 1.00 0.00 H new ATOM 0 HH21 ARG B 34 19.457 8.569 10.513 1.00 0.00 H new ATOM 0 HH22 ARG B 34 19.233 9.941 9.423 1.00 0.00 H new ATOM 1169 N ALA B 35 20.634 0.937 7.400 1.00 0.00 N ATOM 1170 CA ALA B 35 21.390 -0.284 7.625 1.00 0.00 C ATOM 1171 C ALA B 35 22.213 -0.598 6.381 1.00 0.00 C ATOM 1172 O ALA B 35 23.299 -1.177 6.457 1.00 0.00 O ATOM 1173 CB ALA B 35 20.461 -1.438 7.964 1.00 0.00 C ATOM 0 H ALA B 35 19.625 0.804 7.326 1.00 0.00 H new ATOM 0 HA ALA B 35 22.060 -0.142 8.473 1.00 0.00 H new ATOM 0 HB1 ALA B 35 21.048 -2.342 8.128 1.00 0.00 H new ATOM 0 HB2 ALA B 35 19.900 -1.200 8.868 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.767 -1.601 7.139 1.00 0.00 H new ATOM 1179 N ILE B 36 21.677 -0.190 5.234 1.00 0.00 N ATOM 1180 CA ILE B 36 22.329 -0.389 3.949 1.00 0.00 C ATOM 1181 C ILE B 36 22.415 0.936 3.190 1.00 0.00 C ATOM 1182 O ILE B 36 22.492 0.956 1.960 1.00 0.00 O ATOM 1183 CB ILE B 36 21.577 -1.422 3.083 1.00 0.00 C ATOM 1184 CG1 ILE B 36 20.098 -1.042 2.959 1.00 0.00 C ATOM 1185 CG2 ILE B 36 21.724 -2.818 3.675 1.00 0.00 C ATOM 1186 CD1 ILE B 36 19.426 -1.620 1.733 1.00 0.00 C ATOM 0 H ILE B 36 20.778 0.288 5.172 1.00 0.00 H new ATOM 0 HA ILE B 36 23.331 -0.770 4.147 1.00 0.00 H new ATOM 0 HB ILE B 36 22.015 -1.423 2.085 1.00 0.00 H new ATOM 0 HG12 ILE B 36 19.568 -1.383 3.848 1.00 0.00 H new ATOM 0 HG13 ILE B 36 20.011 0.044 2.933 1.00 0.00 H new ATOM 0 HG21 ILE B 36 21.188 -3.535 3.053 1.00 0.00 H new ATOM 0 HG22 ILE B 36 22.779 -3.088 3.713 1.00 0.00 H new ATOM 0 HG23 ILE B 36 21.310 -2.831 4.683 1.00 0.00 H new ATOM 0 HD11 ILE B 36 18.381 -1.310 1.710 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.931 -1.259 0.837 1.00 0.00 H new ATOM 0 HD13 ILE B 36 19.481 -2.708 1.767 1.00 0.00 H new ATOM 1198 N GLY B 37 22.446 2.029 3.955 1.00 0.00 N ATOM 1199 CA GLY B 37 22.511 3.374 3.389 1.00 0.00 C ATOM 1200 C GLY B 37 21.497 3.627 2.278 1.00 0.00 C ATOM 1201 O GLY B 37 21.863 4.085 1.192 1.00 0.00 O ATOM 0 H GLY B 37 22.427 2.006 4.975 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.351 4.101 4.185 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.514 3.545 2.998 1.00 0.00 H new ATOM 1205 N LEU B 38 20.228 3.336 2.541 1.00 0.00 N ATOM 1206 CA LEU B 38 19.183 3.538 1.541 1.00 0.00 C ATOM 1207 C LEU B 38 18.071 4.448 2.063 1.00 0.00 C ATOM 1208 O LEU B 38 17.002 4.538 1.458 1.00 0.00 O ATOM 1209 CB LEU B 38 18.592 2.192 1.114 1.00 0.00 C ATOM 1210 CG LEU B 38 18.638 1.909 -0.389 1.00 0.00 C ATOM 1211 CD1 LEU B 38 20.059 1.583 -0.826 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.691 0.773 -0.748 1.00 0.00 C ATOM 0 H LEU B 38 19.898 2.962 3.431 1.00 0.00 H new ATOM 0 HA LEU B 38 19.641 4.025 0.680 1.00 0.00 H new ATOM 0 HB2 LEU B 38 19.127 1.397 1.634 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.554 2.147 1.445 1.00 0.00 H new ATOM 0 HG LEU B 38 18.313 2.804 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU B 38 20.074 1.384 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU B 38 20.711 2.428 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.412 0.703 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU B 38 17.737 0.586 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.984 -0.128 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.673 1.047 -0.471 1.00 0.00 H new ATOM 1224 N GLU B 39 18.329 5.115 3.183 1.00 0.00 N ATOM 1225 CA GLU B 39 17.351 6.017 3.805 1.00 0.00 C ATOM 1226 C GLU B 39 16.803 7.073 2.840 1.00 0.00 C ATOM 1227 O GLU B 39 15.696 7.575 3.032 1.00 0.00 O ATOM 1228 CB GLU B 39 17.961 6.709 5.029 1.00 0.00 C ATOM 1229 CG GLU B 39 19.049 7.716 4.689 1.00 0.00 C ATOM 1230 CD GLU B 39 20.442 7.126 4.758 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.606 5.933 4.429 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.374 7.862 5.147 1.00 0.00 O ATOM 0 H GLU B 39 19.214 5.050 3.687 1.00 0.00 H new ATOM 0 HA GLU B 39 16.512 5.391 4.108 1.00 0.00 H new ATOM 0 HB2 GLU B 39 17.169 7.217 5.580 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.376 5.951 5.694 1.00 0.00 H new ATOM 0 HG2 GLU B 39 18.875 8.107 3.686 1.00 0.00 H new ATOM 0 HG3 GLU B 39 18.983 8.560 5.376 1.00 0.00 H new ATOM 1239 N ARG B 40 17.558 7.398 1.797 1.00 0.00 N ATOM 1240 CA ARG B 40 17.125 8.402 0.829 1.00 0.00 C ATOM 1241 C ARG B 40 15.955 7.905 -0.020 1.00 0.00 C ATOM 1242 O ARG B 40 15.327 8.682 -0.737 1.00 0.00 O ATOM 1243 CB ARG B 40 18.281 8.813 -0.081 1.00 0.00 C ATOM 1244 CG ARG B 40 19.410 9.525 0.645 1.00 0.00 C ATOM 1245 CD ARG B 40 20.215 10.401 -0.303 1.00 0.00 C ATOM 1246 NE ARG B 40 20.280 9.834 -1.651 1.00 0.00 N ATOM 1247 CZ ARG B 40 21.385 9.784 -2.392 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.526 10.276 -1.928 1.00 0.00 N ATOM 1249 NH2 ARG B 40 21.338 9.254 -3.607 1.00 0.00 N ATOM 0 H ARG B 40 18.469 6.984 1.599 1.00 0.00 H new ATOM 0 HA ARG B 40 16.789 9.269 1.398 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.680 7.924 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG B 40 17.899 9.465 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG B 40 18.999 10.137 1.448 1.00 0.00 H new ATOM 0 HG3 ARG B 40 20.067 8.789 1.109 1.00 0.00 H new ATOM 0 HD2 ARG B 40 19.767 11.394 -0.348 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.225 10.525 0.087 1.00 0.00 H new ATOM 0 HE ARG B 40 19.422 9.452 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.560 10.695 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG B 40 23.369 10.235 -2.500 1.00 0.00 H new ATOM 0 HH21 ARG B 40 20.458 8.887 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.182 9.213 -4.179 1.00 0.00 H new ATOM 1263 N TYR B 41 15.664 6.613 0.061 1.00 0.00 N ATOM 1264 CA TYR B 41 14.570 6.039 -0.710 1.00 0.00 C ATOM 1265 C TYR B 41 13.245 6.136 0.042 1.00 0.00 C ATOM 1266 O TYR B 41 12.182 6.090 -0.576 1.00 0.00 O ATOM 1267 CB TYR B 41 14.871 4.584 -1.072 1.00 0.00 C ATOM 1268 CG TYR B 41 15.699 4.441 -2.329 1.00 0.00 C ATOM 1269 CD1 TYR B 41 17.072 4.651 -2.308 1.00 0.00 C ATOM 1270 CD2 TYR B 41 15.106 4.102 -3.539 1.00 0.00 C ATOM 1271 CE1 TYR B 41 17.829 4.526 -3.455 1.00 0.00 C ATOM 1272 CE2 TYR B 41 15.858 3.976 -4.691 1.00 0.00 C ATOM 1273 CZ TYR B 41 17.218 4.189 -4.644 1.00 0.00 C ATOM 1274 OH TYR B 41 17.973 4.062 -5.788 1.00 0.00 O ATOM 0 H TYR B 41 16.166 5.947 0.648 1.00 0.00 H new ATOM 0 HA TYR B 41 14.476 6.617 -1.629 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.397 4.112 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.931 4.047 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.555 4.916 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR B 41 14.040 3.934 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR B 41 18.896 4.691 -3.421 1.00 0.00 H new ATOM 0 HE2 TYR B 41 15.382 3.712 -5.624 1.00 0.00 H new ATOM 0 HH TYR B 41 18.887 3.799 -5.550 1.00 0.00 H new ATOM 1284 N GLU B 42 13.314 6.253 1.372 1.00 0.00 N ATOM 1285 CA GLU B 42 12.109 6.371 2.203 1.00 0.00 C ATOM 1286 C GLU B 42 11.163 7.431 1.645 1.00 0.00 C ATOM 1287 O GLU B 42 9.975 7.182 1.475 1.00 0.00 O ATOM 1288 CB GLU B 42 12.486 6.715 3.650 1.00 0.00 C ATOM 1289 CG GLU B 42 11.302 7.156 4.496 1.00 0.00 C ATOM 1290 CD GLU B 42 11.639 7.308 5.964 1.00 0.00 C ATOM 1291 OE1 GLU B 42 12.484 8.159 6.308 1.00 0.00 O ATOM 1292 OE2 GLU B 42 11.043 6.584 6.786 1.00 0.00 O ATOM 0 H GLU B 42 14.189 6.269 1.896 1.00 0.00 H new ATOM 0 HA GLU B 42 11.597 5.409 2.190 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.949 5.844 4.113 1.00 0.00 H new ATOM 0 HB3 GLU B 42 13.234 7.508 3.644 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.927 8.106 4.116 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.497 6.429 4.388 1.00 0.00 H new ATOM 1299 N GLU B 43 11.718 8.614 1.402 1.00 0.00 N ATOM 1300 CA GLU B 43 10.970 9.743 0.841 1.00 0.00 C ATOM 1301 C GLU B 43 10.060 9.301 -0.317 1.00 0.00 C ATOM 1302 O GLU B 43 8.885 9.671 -0.371 1.00 0.00 O ATOM 1303 CB GLU B 43 11.933 10.832 0.369 1.00 0.00 C ATOM 1304 CG GLU B 43 11.253 12.158 0.070 1.00 0.00 C ATOM 1305 CD GLU B 43 12.170 13.339 0.298 1.00 0.00 C ATOM 1306 OE1 GLU B 43 13.244 13.397 -0.334 1.00 0.00 O ATOM 1307 OE2 GLU B 43 11.828 14.214 1.116 1.00 0.00 O ATOM 0 H GLU B 43 12.699 8.821 1.587 1.00 0.00 H new ATOM 0 HA GLU B 43 10.333 10.144 1.630 1.00 0.00 H new ATOM 0 HB2 GLU B 43 12.695 10.988 1.133 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.447 10.487 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU B 43 10.910 12.162 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU B 43 10.369 12.260 0.700 1.00 0.00 H new ATOM 1314 N GLY B 44 10.601 8.498 -1.229 1.00 0.00 N ATOM 1315 CA GLY B 44 9.822 8.018 -2.359 1.00 0.00 C ATOM 1316 C GLY B 44 8.836 6.929 -1.967 1.00 0.00 C ATOM 1317 O GLY B 44 7.763 6.805 -2.558 1.00 0.00 O ATOM 0 H GLY B 44 11.567 8.170 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.279 8.853 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.497 7.634 -3.124 1.00 0.00 H new ATOM 1321 N LEU B 45 9.188 6.162 -0.945 1.00 0.00 N ATOM 1322 CA LEU B 45 8.351 5.066 -0.462 1.00 0.00 C ATOM 1323 C LEU B 45 7.263 5.565 0.495 1.00 0.00 C ATOM 1324 O LEU B 45 6.746 4.799 1.307 1.00 0.00 O ATOM 1325 CB LEU B 45 9.225 4.026 0.250 1.00 0.00 C ATOM 1326 CG LEU B 45 10.056 3.127 -0.668 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.323 2.670 0.037 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.237 1.925 -1.114 1.00 0.00 C ATOM 0 H LEU B 45 10.059 6.279 -0.427 1.00 0.00 H new ATOM 0 HA LEU B 45 7.859 4.614 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.901 4.547 0.928 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.582 3.395 0.863 1.00 0.00 H new ATOM 0 HG LEU B 45 10.340 3.702 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.901 2.032 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.919 3.540 0.314 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.058 2.111 0.934 1.00 0.00 H new ATOM 0 HD21 LEU B 45 9.841 1.295 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU B 45 8.927 1.351 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.355 2.267 -1.655 1.00 0.00 H new ATOM 1340 N VAL B 46 6.890 6.833 0.377 1.00 0.00 N ATOM 1341 CA VAL B 46 5.874 7.408 1.253 1.00 0.00 C ATOM 1342 C VAL B 46 4.542 7.555 0.518 1.00 0.00 C ATOM 1343 O VAL B 46 3.480 7.299 1.082 1.00 0.00 O ATOM 1344 CB VAL B 46 6.312 8.785 1.805 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.147 9.510 2.471 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.464 8.624 2.785 1.00 0.00 C ATOM 0 H VAL B 46 7.272 7.481 -0.312 1.00 0.00 H new ATOM 0 HA VAL B 46 5.749 6.722 2.091 1.00 0.00 H new ATOM 0 HB VAL B 46 6.649 9.390 0.963 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.487 10.474 2.849 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.351 9.666 1.743 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.769 8.909 3.298 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.759 9.603 3.163 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.149 7.993 3.616 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.310 8.160 2.278 1.00 0.00 H new ATOM 1356 N HIS B 47 4.603 7.928 -0.754 1.00 0.00 N ATOM 1357 CA HIS B 47 3.390 8.127 -1.545 1.00 0.00 C ATOM 1358 C HIS B 47 2.689 6.814 -1.870 1.00 0.00 C ATOM 1359 O HIS B 47 1.604 6.819 -2.455 1.00 0.00 O ATOM 1360 CB HIS B 47 3.698 8.867 -2.849 1.00 0.00 C ATOM 1361 CG HIS B 47 3.714 10.361 -2.708 1.00 0.00 C ATOM 1362 ND1 HIS B 47 3.611 11.235 -3.768 1.00 0.00 N ATOM 1363 CD2 HIS B 47 3.807 11.135 -1.596 1.00 0.00 C ATOM 1364 CE1 HIS B 47 3.638 12.482 -3.280 1.00 0.00 C ATOM 1365 NE2 HIS B 47 3.756 12.476 -1.966 1.00 0.00 N ATOM 0 H HIS B 47 5.472 8.099 -1.260 1.00 0.00 H new ATOM 0 HA HIS B 47 2.721 8.730 -0.931 1.00 0.00 H new ATOM 0 HB2 HIS B 47 4.667 8.536 -3.223 1.00 0.00 H new ATOM 0 HB3 HIS B 47 2.955 8.590 -3.597 1.00 0.00 H new ATOM 0 HD2 HIS B 47 3.905 10.768 -0.585 1.00 0.00 H new ATOM 0 HE1 HIS B 47 3.572 13.375 -3.883 1.00 0.00 H new ATOM 0 HE2 HIS B 47 3.801 13.287 -1.349 1.00 0.00 H new ATOM 1373 N ASN B 48 3.293 5.694 -1.500 1.00 0.00 N ATOM 1374 CA ASN B 48 2.691 4.400 -1.789 1.00 0.00 C ATOM 1375 C ASN B 48 2.294 3.655 -0.523 1.00 0.00 C ATOM 1376 O ASN B 48 1.820 2.522 -0.596 1.00 0.00 O ATOM 1377 CB ASN B 48 3.625 3.523 -2.627 1.00 0.00 C ATOM 1378 CG ASN B 48 3.925 4.090 -4.005 1.00 0.00 C ATOM 1379 OD1 ASN B 48 4.153 5.287 -4.171 1.00 0.00 O ATOM 1380 ND2 ASN B 48 3.912 3.228 -5.009 1.00 0.00 N ATOM 0 H ASN B 48 4.185 5.653 -1.007 1.00 0.00 H new ATOM 0 HA ASN B 48 1.787 4.606 -2.362 1.00 0.00 H new ATOM 0 HB2 ASN B 48 4.563 3.388 -2.088 1.00 0.00 H new ATOM 0 HB3 ASN B 48 3.177 2.536 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN B 48 4.095 3.549 -5.960 1.00 0.00 H new ATOM 0 HD22 ASN B 48 3.719 2.242 -4.832 1.00 0.00 H new ATOM 1387 N GLY B 49 2.465 4.292 0.625 1.00 0.00 N ATOM 1388 CA GLY B 49 2.108 3.653 1.878 1.00 0.00 C ATOM 1389 C GLY B 49 3.060 2.539 2.258 1.00 0.00 C ATOM 1390 O GLY B 49 2.643 1.502 2.767 1.00 0.00 O ATOM 0 H GLY B 49 2.843 5.235 0.714 1.00 0.00 H new ATOM 0 HA2 GLY B 49 2.095 4.400 2.671 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.098 3.251 1.801 1.00 0.00 H new ATOM 1394 N TRP B 50 4.344 2.749 2.001 1.00 0.00 N ATOM 1395 CA TRP B 50 5.355 1.759 2.332 1.00 0.00 C ATOM 1396 C TRP B 50 6.206 2.268 3.484 1.00 0.00 C ATOM 1397 O TRP B 50 7.317 1.797 3.717 1.00 0.00 O ATOM 1398 CB TRP B 50 6.229 1.434 1.115 1.00 0.00 C ATOM 1399 CG TRP B 50 5.539 0.568 0.103 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.271 0.880 -1.198 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.027 -0.755 0.310 1.00 0.00 C ATOM 1402 NE1 TRP B 50 4.617 -0.161 -1.810 1.00 0.00 N ATOM 1403 CE2 TRP B 50 4.457 -1.177 -0.905 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.995 -1.624 1.405 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 3.861 -2.425 -1.055 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.404 -2.863 1.253 1.00 0.00 C ATOM 1407 CH2 TRP B 50 3.844 -3.254 0.032 1.00 0.00 C ATOM 0 H TRP B 50 4.708 3.596 1.565 1.00 0.00 H new ATOM 0 HA TRP B 50 4.857 0.837 2.634 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.536 2.365 0.638 1.00 0.00 H new ATOM 0 HB3 TRP B 50 7.137 0.934 1.452 1.00 0.00 H new ATOM 0 HD1 TRP B 50 5.535 1.811 -1.677 1.00 0.00 H new ATOM 0 HE1 TRP B 50 4.302 -0.175 -2.780 1.00 0.00 H new ATOM 0 HE3 TRP B 50 5.424 -1.332 2.352 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 3.427 -2.728 -1.996 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 4.374 -3.542 2.092 1.00 0.00 H new ATOM 0 HH2 TRP B 50 3.389 -4.230 -0.054 1.00 0.00 H new ATOM 1418 N ASP B 51 5.658 3.238 4.203 1.00 0.00 N ATOM 1419 CA ASP B 51 6.329 3.836 5.345 1.00 0.00 C ATOM 1420 C ASP B 51 6.134 2.966 6.577 1.00 0.00 C ATOM 1421 O ASP B 51 6.875 3.067 7.556 1.00 0.00 O ATOM 1422 CB ASP B 51 5.791 5.250 5.599 1.00 0.00 C ATOM 1423 CG ASP B 51 4.284 5.288 5.793 1.00 0.00 C ATOM 1424 OD1 ASP B 51 3.555 4.822 4.892 1.00 0.00 O ATOM 1425 OD2 ASP B 51 3.831 5.808 6.839 1.00 0.00 O ATOM 0 H ASP B 51 4.737 3.631 4.010 1.00 0.00 H new ATOM 0 HA ASP B 51 7.395 3.906 5.130 1.00 0.00 H new ATOM 0 HB2 ASP B 51 6.276 5.663 6.483 1.00 0.00 H new ATOM 0 HB3 ASP B 51 6.060 5.891 4.759 1.00 0.00 H new ATOM 1430 N ASP B 52 5.124 2.109 6.514 1.00 0.00 N ATOM 1431 CA ASP B 52 4.817 1.194 7.600 1.00 0.00 C ATOM 1432 C ASP B 52 5.670 -0.064 7.467 1.00 0.00 C ATOM 1433 O ASP B 52 5.501 -0.840 6.524 1.00 0.00 O ATOM 1434 CB ASP B 52 3.330 0.835 7.581 1.00 0.00 C ATOM 1435 CG ASP B 52 2.926 -0.050 8.742 1.00 0.00 C ATOM 1436 OD1 ASP B 52 2.990 -1.288 8.602 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.526 0.483 9.795 1.00 0.00 O ATOM 0 H ASP B 52 4.498 2.030 5.712 1.00 0.00 H new ATOM 0 HA ASP B 52 5.043 1.676 8.551 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.739 1.751 7.605 1.00 0.00 H new ATOM 0 HB3 ASP B 52 3.095 0.329 6.645 1.00 0.00 H new ATOM 1442 N LEU B 53 6.590 -0.256 8.408 1.00 0.00 N ATOM 1443 CA LEU B 53 7.491 -1.407 8.387 1.00 0.00 C ATOM 1444 C LEU B 53 6.736 -2.733 8.402 1.00 0.00 C ATOM 1445 O LEU B 53 7.144 -3.683 7.739 1.00 0.00 O ATOM 1446 CB LEU B 53 8.468 -1.350 9.565 1.00 0.00 C ATOM 1447 CG LEU B 53 9.645 -0.383 9.391 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.517 -0.373 10.638 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.471 -0.761 8.170 1.00 0.00 C ATOM 0 H LEU B 53 6.732 0.373 9.198 1.00 0.00 H new ATOM 0 HA LEU B 53 8.049 -1.355 7.452 1.00 0.00 H new ATOM 0 HB2 LEU B 53 7.916 -1.067 10.461 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.863 -2.351 9.737 1.00 0.00 H new ATOM 0 HG LEU B 53 9.245 0.620 9.241 1.00 0.00 H new ATOM 0 HD11 LEU B 53 11.347 0.319 10.496 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.923 -0.056 11.495 1.00 0.00 H new ATOM 0 HD13 LEU B 53 10.907 -1.375 10.818 1.00 0.00 H new ATOM 0 HD21 LEU B 53 11.302 -0.064 8.063 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.859 -1.772 8.292 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.844 -0.718 7.279 1.00 0.00 H new ATOM 1461 N GLU B 54 5.631 -2.795 9.139 1.00 0.00 N ATOM 1462 CA GLU B 54 4.840 -4.021 9.215 1.00 0.00 C ATOM 1463 C GLU B 54 4.298 -4.396 7.836 1.00 0.00 C ATOM 1464 O GLU B 54 4.240 -5.572 7.480 1.00 0.00 O ATOM 1465 CB GLU B 54 3.698 -3.862 10.220 1.00 0.00 C ATOM 1466 CG GLU B 54 4.177 -3.710 11.654 1.00 0.00 C ATOM 1467 CD GLU B 54 3.113 -3.162 12.583 1.00 0.00 C ATOM 1468 OE1 GLU B 54 1.957 -2.988 12.146 1.00 0.00 O ATOM 1469 OE2 GLU B 54 3.434 -2.899 13.758 1.00 0.00 O ATOM 0 H GLU B 54 5.264 -2.018 9.688 1.00 0.00 H new ATOM 0 HA GLU B 54 5.487 -4.828 9.559 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.103 -2.990 9.949 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.041 -4.729 10.154 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.509 -4.680 12.024 1.00 0.00 H new ATOM 0 HG3 GLU B 54 5.043 -3.048 11.673 1.00 0.00 H new ATOM 1476 N PHE B 55 3.902 -3.389 7.065 1.00 0.00 N ATOM 1477 CA PHE B 55 3.396 -3.611 5.716 1.00 0.00 C ATOM 1478 C PHE B 55 4.554 -3.931 4.781 1.00 0.00 C ATOM 1479 O PHE B 55 4.418 -4.728 3.852 1.00 0.00 O ATOM 1480 CB PHE B 55 2.645 -2.373 5.219 1.00 0.00 C ATOM 1481 CG PHE B 55 1.818 -2.598 3.980 1.00 0.00 C ATOM 1482 CD1 PHE B 55 1.107 -3.776 3.797 1.00 0.00 C ATOM 1483 CD2 PHE B 55 1.749 -1.622 2.999 1.00 0.00 C ATOM 1484 CE1 PHE B 55 0.348 -3.974 2.659 1.00 0.00 C ATOM 1485 CE2 PHE B 55 0.990 -1.814 1.860 1.00 0.00 C ATOM 1486 CZ PHE B 55 0.290 -2.992 1.689 1.00 0.00 C ATOM 0 H PHE B 55 3.922 -2.410 7.352 1.00 0.00 H new ATOM 0 HA PHE B 55 2.704 -4.453 5.731 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.993 -2.016 6.016 1.00 0.00 H new ATOM 0 HB3 PHE B 55 3.367 -1.582 5.019 1.00 0.00 H new ATOM 0 HD1 PHE B 55 1.147 -4.547 4.553 1.00 0.00 H new ATOM 0 HD2 PHE B 55 2.295 -0.699 3.126 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -0.199 -4.896 2.528 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.944 -1.044 1.105 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.302 -3.145 0.799 1.00 0.00 H new ATOM 1496 N LEU B 56 5.700 -3.313 5.049 1.00 0.00 N ATOM 1497 CA LEU B 56 6.900 -3.526 4.251 1.00 0.00 C ATOM 1498 C LEU B 56 7.335 -4.989 4.321 1.00 0.00 C ATOM 1499 O LEU B 56 7.988 -5.498 3.412 1.00 0.00 O ATOM 1500 CB LEU B 56 8.030 -2.611 4.737 1.00 0.00 C ATOM 1501 CG LEU B 56 9.171 -2.396 3.741 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.727 -1.493 2.600 1.00 0.00 C ATOM 1503 CD2 LEU B 56 10.386 -1.810 4.444 1.00 0.00 C ATOM 0 H LEU B 56 5.822 -2.656 5.819 1.00 0.00 H new ATOM 0 HA LEU B 56 6.674 -3.282 3.213 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.605 -1.640 4.992 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.444 -3.029 5.654 1.00 0.00 H new ATOM 0 HG LEU B 56 9.447 -3.364 3.322 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.554 -1.353 1.904 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.887 -1.952 2.079 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.422 -0.526 2.999 1.00 0.00 H new ATOM 0 HD21 LEU B 56 11.189 -1.663 3.721 1.00 0.00 H new ATOM 0 HD22 LEU B 56 10.121 -0.852 4.891 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.720 -2.494 5.224 1.00 0.00 H new ATOM 1515 N SER B 57 6.952 -5.666 5.399 1.00 0.00 N ATOM 1516 CA SER B 57 7.281 -7.075 5.583 1.00 0.00 C ATOM 1517 C SER B 57 6.528 -7.951 4.581 1.00 0.00 C ATOM 1518 O SER B 57 6.827 -9.138 4.428 1.00 0.00 O ATOM 1519 CB SER B 57 6.934 -7.512 7.008 1.00 0.00 C ATOM 1520 OG SER B 57 7.421 -6.588 7.963 1.00 0.00 O ATOM 0 H SER B 57 6.411 -5.259 6.162 1.00 0.00 H new ATOM 0 HA SER B 57 8.351 -7.197 5.413 1.00 0.00 H new ATOM 0 HB2 SER B 57 5.853 -7.606 7.109 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.359 -8.497 7.202 1.00 0.00 H new ATOM 0 HG SER B 57 6.768 -5.867 8.084 1.00 0.00 H new ATOM 1526 N ASP B 58 5.548 -7.367 3.901 1.00 0.00 N ATOM 1527 CA ASP B 58 4.758 -8.103 2.925 1.00 0.00 C ATOM 1528 C ASP B 58 4.927 -7.512 1.530 1.00 0.00 C ATOM 1529 O ASP B 58 4.138 -7.792 0.629 1.00 0.00 O ATOM 1530 CB ASP B 58 3.278 -8.096 3.324 1.00 0.00 C ATOM 1531 CG ASP B 58 2.572 -9.377 2.928 1.00 0.00 C ATOM 1532 OD1 ASP B 58 3.002 -10.459 3.381 1.00 0.00 O ATOM 1533 OD2 ASP B 58 1.582 -9.316 2.166 1.00 0.00 O ATOM 0 H ASP B 58 5.283 -6.388 4.008 1.00 0.00 H new ATOM 0 HA ASP B 58 5.116 -9.133 2.907 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.195 -7.956 4.402 1.00 0.00 H new ATOM 0 HB3 ASP B 58 2.780 -7.248 2.853 1.00 0.00 H new ATOM 1538 N ILE B 59 5.969 -6.708 1.348 1.00 0.00 N ATOM 1539 CA ILE B 59 6.224 -6.082 0.057 1.00 0.00 C ATOM 1540 C ILE B 59 6.727 -7.110 -0.958 1.00 0.00 C ATOM 1541 O ILE B 59 7.441 -8.053 -0.607 1.00 0.00 O ATOM 1542 CB ILE B 59 7.238 -4.910 0.169 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.173 -4.028 -1.081 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.657 -5.424 0.380 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.947 -2.733 -0.956 1.00 0.00 C ATOM 0 H ILE B 59 6.647 -6.476 2.074 1.00 0.00 H new ATOM 0 HA ILE B 59 5.275 -5.673 -0.290 1.00 0.00 H new ATOM 0 HB ILE B 59 6.964 -4.312 1.038 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.559 -4.590 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.130 -3.798 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.342 -4.580 0.454 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.699 -6.008 1.299 1.00 0.00 H new ATOM 0 HG23 ILE B 59 8.945 -6.052 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.854 -2.163 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.547 -2.149 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.998 -2.954 -0.771 1.00 0.00 H new ATOM 1557 N THR B 60 6.324 -6.941 -2.206 1.00 0.00 N ATOM 1558 CA THR B 60 6.739 -7.838 -3.267 1.00 0.00 C ATOM 1559 C THR B 60 7.987 -7.294 -3.948 1.00 0.00 C ATOM 1560 O THR B 60 8.459 -6.203 -3.618 1.00 0.00 O ATOM 1561 CB THR B 60 5.632 -8.008 -4.326 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.430 -6.770 -5.021 1.00 0.00 O ATOM 1563 CG2 THR B 60 4.326 -8.457 -3.687 1.00 0.00 C ATOM 0 H THR B 60 5.707 -6.187 -2.508 1.00 0.00 H new ATOM 0 HA THR B 60 6.946 -8.808 -2.816 1.00 0.00 H new ATOM 0 HB THR B 60 5.950 -8.776 -5.031 1.00 0.00 H new ATOM 0 HG1 THR B 60 4.547 -6.409 -4.796 1.00 0.00 H new ATOM 0 HG21 THR B 60 3.563 -8.569 -4.458 1.00 0.00 H new ATOM 0 HG22 THR B 60 4.476 -9.412 -3.184 1.00 0.00 H new ATOM 0 HG23 THR B 60 4.001 -7.712 -2.961 1.00 0.00 H new ATOM 1571 N GLU B 61 8.516 -8.040 -4.903 1.00 0.00 N ATOM 1572 CA GLU B 61 9.689 -7.603 -5.634 1.00 0.00 C ATOM 1573 C GLU B 61 9.263 -6.683 -6.771 1.00 0.00 C ATOM 1574 O GLU B 61 10.095 -6.089 -7.460 1.00 0.00 O ATOM 1575 CB GLU B 61 10.463 -8.799 -6.182 1.00 0.00 C ATOM 1576 CG GLU B 61 11.938 -8.774 -5.826 1.00 0.00 C ATOM 1577 CD GLU B 61 12.781 -9.531 -6.824 1.00 0.00 C ATOM 1578 OE1 GLU B 61 13.146 -8.942 -7.859 1.00 0.00 O ATOM 1579 OE2 GLU B 61 13.076 -10.719 -6.583 1.00 0.00 O ATOM 0 H GLU B 61 8.151 -8.949 -5.188 1.00 0.00 H new ATOM 0 HA GLU B 61 10.346 -7.060 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU B 61 10.019 -9.717 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU B 61 10.359 -8.824 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU B 61 12.280 -7.740 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU B 61 12.078 -9.205 -4.835 1.00 0.00 H new ATOM 1586 N GLU B 62 7.952 -6.577 -6.953 1.00 0.00 N ATOM 1587 CA GLU B 62 7.381 -5.737 -7.992 1.00 0.00 C ATOM 1588 C GLU B 62 7.038 -4.365 -7.424 1.00 0.00 C ATOM 1589 O GLU B 62 7.309 -3.340 -8.046 1.00 0.00 O ATOM 1590 CB GLU B 62 6.115 -6.380 -8.571 1.00 0.00 C ATOM 1591 CG GLU B 62 6.197 -7.893 -8.718 1.00 0.00 C ATOM 1592 CD GLU B 62 7.285 -8.342 -9.671 1.00 0.00 C ATOM 1593 OE1 GLU B 62 7.721 -7.533 -10.517 1.00 0.00 O ATOM 1594 OE2 GLU B 62 7.700 -9.517 -9.590 1.00 0.00 O ATOM 0 H GLU B 62 7.261 -7.069 -6.387 1.00 0.00 H new ATOM 0 HA GLU B 62 8.118 -5.628 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU B 62 5.269 -6.134 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU B 62 5.912 -5.941 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU B 62 6.375 -8.338 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU B 62 5.237 -8.270 -9.070 1.00 0.00 H new ATOM 1601 N ASP B 63 6.437 -4.363 -6.233 1.00 0.00 N ATOM 1602 CA ASP B 63 6.036 -3.127 -5.554 1.00 0.00 C ATOM 1603 C ASP B 63 7.184 -2.133 -5.420 1.00 0.00 C ATOM 1604 O ASP B 63 6.964 -0.923 -5.451 1.00 0.00 O ATOM 1605 CB ASP B 63 5.475 -3.439 -4.166 1.00 0.00 C ATOM 1606 CG ASP B 63 4.014 -3.842 -4.201 1.00 0.00 C ATOM 1607 OD1 ASP B 63 3.150 -2.946 -4.311 1.00 0.00 O ATOM 1608 OD2 ASP B 63 3.733 -5.052 -4.110 1.00 0.00 O ATOM 0 H ASP B 63 6.215 -5.212 -5.713 1.00 0.00 H new ATOM 0 HA ASP B 63 5.267 -2.667 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.058 -4.242 -3.715 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.591 -2.564 -3.527 1.00 0.00 H new ATOM 1613 N LEU B 64 8.401 -2.643 -5.256 1.00 0.00 N ATOM 1614 CA LEU B 64 9.583 -1.797 -5.119 1.00 0.00 C ATOM 1615 C LEU B 64 9.724 -0.829 -6.294 1.00 0.00 C ATOM 1616 O LEU B 64 9.815 0.384 -6.095 1.00 0.00 O ATOM 1617 CB LEU B 64 10.833 -2.676 -5.013 1.00 0.00 C ATOM 1618 CG LEU B 64 10.863 -3.615 -3.806 1.00 0.00 C ATOM 1619 CD1 LEU B 64 11.841 -4.756 -4.039 1.00 0.00 C ATOM 1620 CD2 LEU B 64 11.233 -2.849 -2.548 1.00 0.00 C ATOM 0 H LEU B 64 8.595 -3.643 -5.215 1.00 0.00 H new ATOM 0 HA LEU B 64 9.470 -1.202 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.917 -3.273 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.710 -2.030 -4.974 1.00 0.00 H new ATOM 0 HG LEU B 64 9.867 -4.038 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.848 -5.413 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.536 -5.322 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.841 -4.352 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.250 -3.531 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.218 -2.400 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.497 -2.065 -2.369 1.00 0.00 H new ATOM 1632 N GLU B 65 9.780 -1.385 -7.505 1.00 0.00 N ATOM 1633 CA GLU B 65 9.907 -0.601 -8.741 1.00 0.00 C ATOM 1634 C GLU B 65 9.013 0.649 -8.765 1.00 0.00 C ATOM 1635 O GLU B 65 9.404 1.675 -9.323 1.00 0.00 O ATOM 1636 CB GLU B 65 9.640 -1.490 -9.967 1.00 0.00 C ATOM 1637 CG GLU B 65 8.216 -1.431 -10.501 1.00 0.00 C ATOM 1638 CD GLU B 65 8.159 -1.452 -12.015 1.00 0.00 C ATOM 1639 OE1 GLU B 65 9.206 -1.216 -12.661 1.00 0.00 O ATOM 1640 OE2 GLU B 65 7.068 -1.693 -12.571 1.00 0.00 O ATOM 0 H GLU B 65 9.739 -2.392 -7.660 1.00 0.00 H new ATOM 0 HA GLU B 65 10.934 -0.237 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU B 65 10.324 -1.200 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU B 65 9.873 -2.523 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU B 65 7.650 -2.275 -10.108 1.00 0.00 H new ATOM 0 HG3 GLU B 65 7.732 -0.525 -10.136 1.00 0.00 H new ATOM 1647 N GLU B 66 7.826 0.572 -8.161 1.00 0.00 N ATOM 1648 CA GLU B 66 6.902 1.706 -8.121 1.00 0.00 C ATOM 1649 C GLU B 66 7.539 2.950 -7.507 1.00 0.00 C ATOM 1650 O GLU B 66 7.337 4.065 -7.992 1.00 0.00 O ATOM 1651 CB GLU B 66 5.662 1.336 -7.313 1.00 0.00 C ATOM 1652 CG GLU B 66 4.660 0.499 -8.081 1.00 0.00 C ATOM 1653 CD GLU B 66 3.341 1.215 -8.251 1.00 0.00 C ATOM 1654 OE1 GLU B 66 2.682 1.498 -7.228 1.00 0.00 O ATOM 1655 OE2 GLU B 66 2.952 1.483 -9.404 1.00 0.00 O ATOM 0 H GLU B 66 7.482 -0.266 -7.692 1.00 0.00 H new ATOM 0 HA GLU B 66 6.633 1.937 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU B 66 5.970 0.790 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU B 66 5.174 2.250 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU B 66 5.068 0.253 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU B 66 4.497 -0.443 -7.558 1.00 0.00 H new ATOM 1662 N ALA B 67 8.321 2.754 -6.455 1.00 0.00 N ATOM 1663 CA ALA B 67 8.971 3.862 -5.766 1.00 0.00 C ATOM 1664 C ALA B 67 10.301 4.225 -6.421 1.00 0.00 C ATOM 1665 O ALA B 67 11.164 4.841 -5.798 1.00 0.00 O ATOM 1666 CB ALA B 67 9.178 3.512 -4.301 1.00 0.00 C ATOM 0 H ALA B 67 8.522 1.836 -6.058 1.00 0.00 H new ATOM 0 HA ALA B 67 8.320 4.734 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA B 67 9.664 4.345 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA B 67 8.213 3.316 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.806 2.624 -4.224 1.00 0.00 H new ATOM 1672 N GLY B 68 10.467 3.830 -7.676 1.00 0.00 N ATOM 1673 CA GLY B 68 11.690 4.133 -8.393 1.00 0.00 C ATOM 1674 C GLY B 68 12.750 3.070 -8.207 1.00 0.00 C ATOM 1675 O GLY B 68 13.818 3.131 -8.819 1.00 0.00 O ATOM 0 H GLY B 68 9.776 3.304 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY B 68 11.468 4.238 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY B 68 12.079 5.093 -8.052 1.00 0.00 H new ATOM 1679 N VAL B 69 12.456 2.082 -7.372 1.00 0.00 N ATOM 1680 CA VAL B 69 13.395 1.001 -7.111 1.00 0.00 C ATOM 1681 C VAL B 69 13.332 -0.032 -8.233 1.00 0.00 C ATOM 1682 O VAL B 69 12.967 -1.186 -8.023 1.00 0.00 O ATOM 1683 CB VAL B 69 13.119 0.315 -5.753 1.00 0.00 C ATOM 1684 CG1 VAL B 69 14.326 -0.498 -5.305 1.00 0.00 C ATOM 1685 CG2 VAL B 69 12.744 1.340 -4.693 1.00 0.00 C ATOM 0 H VAL B 69 11.575 2.008 -6.864 1.00 0.00 H new ATOM 0 HA VAL B 69 14.393 1.437 -7.069 1.00 0.00 H new ATOM 0 HB VAL B 69 12.276 -0.364 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.110 -0.972 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL B 69 14.545 -1.265 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.188 0.160 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL B 69 12.555 0.833 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.562 2.049 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL B 69 11.846 1.874 -5.004 1.00 0.00 H new ATOM 1695 N GLN B 70 13.680 0.407 -9.433 1.00 0.00 N ATOM 1696 CA GLN B 70 13.669 -0.458 -10.606 1.00 0.00 C ATOM 1697 C GLN B 70 15.078 -0.956 -10.897 1.00 0.00 C ATOM 1698 O GLN B 70 15.407 -1.326 -12.026 1.00 0.00 O ATOM 1699 CB GLN B 70 13.118 0.301 -11.818 1.00 0.00 C ATOM 1700 CG GLN B 70 11.912 1.170 -11.501 1.00 0.00 C ATOM 1701 CD GLN B 70 11.347 1.854 -12.727 1.00 0.00 C ATOM 1702 OE1 GLN B 70 11.793 2.937 -13.106 1.00 0.00 O ATOM 1703 NE2 GLN B 70 10.358 1.235 -13.354 1.00 0.00 N ATOM 0 H GLN B 70 13.976 1.365 -9.622 1.00 0.00 H new ATOM 0 HA GLN B 70 13.024 -1.314 -10.407 1.00 0.00 H new ATOM 0 HB2 GLN B 70 13.908 0.928 -12.232 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.844 -0.417 -12.591 1.00 0.00 H new ATOM 0 HG2 GLN B 70 11.137 0.556 -11.043 1.00 0.00 H new ATOM 0 HG3 GLN B 70 12.196 1.924 -10.767 1.00 0.00 H new ATOM 0 HE21 GLN B 70 10.017 0.338 -13.008 1.00 0.00 H new ATOM 0 HE22 GLN B 70 9.938 1.655 -14.183 1.00 0.00 H new ATOM 1712 N ASP B 71 15.908 -0.957 -9.866 1.00 0.00 N ATOM 1713 CA ASP B 71 17.290 -1.397 -9.984 1.00 0.00 C ATOM 1714 C ASP B 71 17.476 -2.752 -9.307 1.00 0.00 C ATOM 1715 O ASP B 71 17.003 -2.960 -8.189 1.00 0.00 O ATOM 1716 CB ASP B 71 18.227 -0.358 -9.363 1.00 0.00 C ATOM 1717 CG ASP B 71 19.657 -0.846 -9.263 1.00 0.00 C ATOM 1718 OD1 ASP B 71 20.402 -0.718 -10.253 1.00 0.00 O ATOM 1719 OD2 ASP B 71 20.041 -1.346 -8.188 1.00 0.00 O ATOM 0 H ASP B 71 15.645 -0.655 -8.928 1.00 0.00 H new ATOM 0 HA ASP B 71 17.535 -1.503 -11.041 1.00 0.00 H new ATOM 0 HB2 ASP B 71 18.199 0.553 -9.961 1.00 0.00 H new ATOM 0 HB3 ASP B 71 17.866 -0.098 -8.368 1.00 0.00 H new ATOM 1724 N PRO B 72 18.163 -3.687 -9.983 1.00 0.00 N ATOM 1725 CA PRO B 72 18.405 -5.040 -9.465 1.00 0.00 C ATOM 1726 C PRO B 72 19.096 -5.051 -8.104 1.00 0.00 C ATOM 1727 O PRO B 72 18.625 -5.705 -7.169 1.00 0.00 O ATOM 1728 CB PRO B 72 19.315 -5.683 -10.523 1.00 0.00 C ATOM 1729 CG PRO B 72 19.837 -4.549 -11.337 1.00 0.00 C ATOM 1730 CD PRO B 72 18.767 -3.501 -11.311 1.00 0.00 C ATOM 0 HA PRO B 72 17.465 -5.569 -9.305 1.00 0.00 H new ATOM 0 HB2 PRO B 72 20.128 -6.239 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO B 72 18.761 -6.389 -11.142 1.00 0.00 H new ATOM 0 HG2 PRO B 72 20.769 -4.166 -10.922 1.00 0.00 H new ATOM 0 HG3 PRO B 72 20.049 -4.866 -12.358 1.00 0.00 H new ATOM 0 HD2 PRO B 72 19.179 -2.499 -11.432 1.00 0.00 H new ATOM 0 HD3 PRO B 72 18.040 -3.645 -12.110 1.00 0.00 H new ATOM 1738 N ALA B 73 20.212 -4.338 -7.998 1.00 0.00 N ATOM 1739 CA ALA B 73 20.972 -4.275 -6.758 1.00 0.00 C ATOM 1740 C ALA B 73 20.141 -3.704 -5.616 1.00 0.00 C ATOM 1741 O ALA B 73 20.125 -4.258 -4.517 1.00 0.00 O ATOM 1742 CB ALA B 73 22.229 -3.443 -6.959 1.00 0.00 C ATOM 0 H ALA B 73 20.611 -3.793 -8.762 1.00 0.00 H new ATOM 0 HA ALA B 73 21.251 -5.293 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA B 73 22.791 -3.402 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA B 73 22.846 -3.897 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA B 73 21.952 -2.433 -7.261 1.00 0.00 H new ATOM 1748 N HIS B 74 19.450 -2.604 -5.883 1.00 0.00 N ATOM 1749 CA HIS B 74 18.622 -1.954 -4.874 1.00 0.00 C ATOM 1750 C HIS B 74 17.496 -2.868 -4.403 1.00 0.00 C ATOM 1751 O HIS B 74 17.241 -2.971 -3.202 1.00 0.00 O ATOM 1752 CB HIS B 74 18.058 -0.640 -5.410 1.00 0.00 C ATOM 1753 CG HIS B 74 19.056 0.477 -5.411 1.00 0.00 C ATOM 1754 ND1 HIS B 74 20.021 0.646 -6.377 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.220 1.501 -4.539 1.00 0.00 C ATOM 1756 CE1 HIS B 74 20.725 1.742 -6.074 1.00 0.00 C ATOM 1757 NE2 HIS B 74 20.277 2.301 -4.964 1.00 0.00 N ATOM 0 H HIS B 74 19.446 -2.141 -6.792 1.00 0.00 H new ATOM 0 HA HIS B 74 19.255 -1.737 -4.013 1.00 0.00 H new ATOM 0 HB2 HIS B 74 17.696 -0.796 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.198 -0.349 -4.807 1.00 0.00 H new ATOM 0 HD1 HIS B 74 20.173 0.041 -7.184 1.00 0.00 H new ATOM 0 HD2 HIS B 74 18.625 1.670 -3.654 1.00 0.00 H new ATOM 0 HE1 HIS B 74 21.550 2.120 -6.659 1.00 0.00 H new ATOM 1765 N LYS B 75 16.824 -3.532 -5.343 1.00 0.00 N ATOM 1766 CA LYS B 75 15.741 -4.448 -4.993 1.00 0.00 C ATOM 1767 C LYS B 75 16.282 -5.573 -4.123 1.00 0.00 C ATOM 1768 O LYS B 75 15.754 -5.858 -3.047 1.00 0.00 O ATOM 1769 CB LYS B 75 15.093 -5.042 -6.247 1.00 0.00 C ATOM 1770 CG LYS B 75 14.244 -4.059 -7.036 1.00 0.00 C ATOM 1771 CD LYS B 75 13.093 -4.759 -7.744 1.00 0.00 C ATOM 1772 CE LYS B 75 13.586 -5.816 -8.719 1.00 0.00 C ATOM 1773 NZ LYS B 75 12.491 -6.723 -9.153 1.00 0.00 N ATOM 0 H LYS B 75 17.008 -3.454 -6.343 1.00 0.00 H new ATOM 0 HA LYS B 75 14.984 -3.886 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS B 75 15.876 -5.431 -6.897 1.00 0.00 H new ATOM 0 HB3 LYS B 75 14.471 -5.888 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS B 75 13.850 -3.297 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.866 -3.547 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS B 75 12.441 -5.223 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS B 75 12.494 -4.022 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS B 75 14.022 -5.330 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS B 75 14.378 -6.401 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 12.732 -7.703 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 11.606 -6.451 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 12.368 -6.651 -10.183 1.00 0.00 H new ATOM 1787 N ARG B 76 17.341 -6.206 -4.617 1.00 0.00 N ATOM 1788 CA ARG B 76 17.998 -7.296 -3.912 1.00 0.00 C ATOM 1789 C ARG B 76 18.399 -6.873 -2.501 1.00 0.00 C ATOM 1790 O ARG B 76 18.110 -7.573 -1.529 1.00 0.00 O ATOM 1791 CB ARG B 76 19.235 -7.753 -4.694 1.00 0.00 C ATOM 1792 CG ARG B 76 20.067 -8.798 -3.971 1.00 0.00 C ATOM 1793 CD ARG B 76 19.371 -10.147 -3.941 1.00 0.00 C ATOM 1794 NE ARG B 76 19.959 -11.034 -2.940 1.00 0.00 N ATOM 1795 CZ ARG B 76 19.949 -12.361 -3.015 1.00 0.00 C ATOM 1796 NH1 ARG B 76 19.406 -12.974 -4.061 1.00 0.00 N ATOM 1797 NH2 ARG B 76 20.486 -13.077 -2.036 1.00 0.00 N ATOM 0 H ARG B 76 17.766 -5.977 -5.516 1.00 0.00 H new ATOM 0 HA ARG B 76 17.295 -8.125 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG B 76 18.917 -8.157 -5.655 1.00 0.00 H new ATOM 0 HB3 ARG B 76 19.861 -6.886 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG B 76 21.034 -8.898 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG B 76 20.262 -8.466 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG B 76 18.312 -10.006 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG B 76 19.437 -10.613 -4.924 1.00 0.00 H new ATOM 0 HE ARG B 76 20.407 -10.606 -2.130 1.00 0.00 H new ATOM 0 HH11 ARG B 76 18.992 -12.426 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG B 76 19.403 -13.993 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG B 76 20.903 -12.609 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG B 76 20.481 -14.096 -2.088 1.00 0.00 H new ATOM 1811 N LEU B 77 19.057 -5.724 -2.399 1.00 0.00 N ATOM 1812 CA LEU B 77 19.510 -5.204 -1.115 1.00 0.00 C ATOM 1813 C LEU B 77 18.346 -4.966 -0.158 1.00 0.00 C ATOM 1814 O LEU B 77 18.406 -5.371 1.002 1.00 0.00 O ATOM 1815 CB LEU B 77 20.303 -3.909 -1.311 1.00 0.00 C ATOM 1816 CG LEU B 77 21.821 -4.044 -1.160 1.00 0.00 C ATOM 1817 CD1 LEU B 77 22.187 -4.419 0.266 1.00 0.00 C ATOM 1818 CD2 LEU B 77 22.372 -5.072 -2.137 1.00 0.00 C ATOM 0 H LEU B 77 19.290 -5.132 -3.196 1.00 0.00 H new ATOM 0 HA LEU B 77 20.159 -5.957 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU B 77 20.086 -3.516 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.947 -3.171 -0.592 1.00 0.00 H new ATOM 0 HG LEU B 77 22.270 -3.078 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU B 77 23.270 -4.510 0.352 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.833 -3.646 0.948 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.722 -5.371 0.523 1.00 0.00 H new ATOM 0 HD21 LEU B 77 23.452 -5.151 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU B 77 21.912 -6.041 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.147 -4.761 -3.157 1.00 0.00 H new ATOM 1830 N LEU B 78 17.293 -4.316 -0.639 1.00 0.00 N ATOM 1831 CA LEU B 78 16.131 -4.037 0.199 1.00 0.00 C ATOM 1832 C LEU B 78 15.503 -5.341 0.687 1.00 0.00 C ATOM 1833 O LEU B 78 15.224 -5.497 1.877 1.00 0.00 O ATOM 1834 CB LEU B 78 15.102 -3.199 -0.566 1.00 0.00 C ATOM 1835 CG LEU B 78 14.393 -2.125 0.268 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.957 -0.965 -0.614 1.00 0.00 C ATOM 1837 CD2 LEU B 78 13.196 -2.716 0.999 1.00 0.00 C ATOM 0 H LEU B 78 17.219 -3.974 -1.597 1.00 0.00 H new ATOM 0 HA LEU B 78 16.461 -3.465 1.066 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.601 -2.715 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.350 -3.868 -0.985 1.00 0.00 H new ATOM 0 HG LEU B 78 15.097 -1.749 1.010 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.456 -0.213 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.831 -0.522 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.271 -1.328 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.707 -1.938 1.585 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.491 -3.122 0.274 1.00 0.00 H new ATOM 0 HD23 LEU B 78 13.532 -3.513 1.663 1.00 0.00 H new ATOM 1849 N LEU B 79 15.283 -6.268 -0.242 1.00 0.00 N ATOM 1850 CA LEU B 79 14.709 -7.570 0.085 1.00 0.00 C ATOM 1851 C LEU B 79 15.543 -8.283 1.150 1.00 0.00 C ATOM 1852 O LEU B 79 15.002 -8.882 2.080 1.00 0.00 O ATOM 1853 CB LEU B 79 14.620 -8.438 -1.175 1.00 0.00 C ATOM 1854 CG LEU B 79 13.433 -9.402 -1.221 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.133 -8.641 -1.435 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.634 -10.438 -2.317 1.00 0.00 C ATOM 0 H LEU B 79 15.495 -6.140 -1.232 1.00 0.00 H new ATOM 0 HA LEU B 79 13.707 -7.410 0.483 1.00 0.00 H new ATOM 0 HB2 LEU B 79 14.569 -7.783 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU B 79 15.540 -9.016 -1.264 1.00 0.00 H new ATOM 0 HG LEU B 79 13.371 -9.920 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.301 -9.344 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.984 -7.937 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU B 79 12.181 -8.096 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU B 79 12.781 -11.117 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.721 -9.936 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU B 79 14.544 -11.005 -2.120 1.00 0.00 H new ATOM 1868 N ASP B 80 16.861 -8.200 1.010 1.00 0.00 N ATOM 1869 CA ASP B 80 17.780 -8.825 1.957 1.00 0.00 C ATOM 1870 C ASP B 80 17.687 -8.143 3.320 1.00 0.00 C ATOM 1871 O ASP B 80 17.707 -8.800 4.366 1.00 0.00 O ATOM 1872 CB ASP B 80 19.214 -8.747 1.425 1.00 0.00 C ATOM 1873 CG ASP B 80 20.194 -9.543 2.263 1.00 0.00 C ATOM 1874 OD1 ASP B 80 20.280 -10.778 2.076 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.896 -8.943 3.098 1.00 0.00 O ATOM 0 H ASP B 80 17.320 -7.704 0.246 1.00 0.00 H new ATOM 0 HA ASP B 80 17.502 -9.872 2.074 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.237 -9.115 0.399 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.530 -7.704 1.397 1.00 0.00 H new ATOM 1880 N THR B 81 17.554 -6.821 3.295 1.00 0.00 N ATOM 1881 CA THR B 81 17.450 -6.026 4.512 1.00 0.00 C ATOM 1882 C THR B 81 16.200 -6.399 5.312 1.00 0.00 C ATOM 1883 O THR B 81 16.223 -6.386 6.544 1.00 0.00 O ATOM 1884 CB THR B 81 17.440 -4.518 4.187 1.00 0.00 C ATOM 1885 OG1 THR B 81 18.570 -4.195 3.370 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.485 -3.676 5.454 1.00 0.00 C ATOM 0 H THR B 81 17.515 -6.274 2.435 1.00 0.00 H new ATOM 0 HA THR B 81 18.327 -6.245 5.122 1.00 0.00 H new ATOM 0 HB THR B 81 16.514 -4.295 3.657 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.386 -4.450 2.442 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.477 -2.619 5.189 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.616 -3.902 6.072 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.395 -3.903 6.010 1.00 0.00 H new ATOM 1894 N LEU B 82 15.112 -6.728 4.610 1.00 0.00 N ATOM 1895 CA LEU B 82 13.862 -7.131 5.262 1.00 0.00 C ATOM 1896 C LEU B 82 14.113 -8.275 6.239 1.00 0.00 C ATOM 1897 O LEU B 82 13.533 -8.326 7.324 1.00 0.00 O ATOM 1898 CB LEU B 82 12.827 -7.566 4.221 1.00 0.00 C ATOM 1899 CG LEU B 82 12.254 -6.445 3.355 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.486 -7.026 2.180 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.352 -5.540 4.180 1.00 0.00 C ATOM 0 H LEU B 82 15.071 -6.723 3.591 1.00 0.00 H new ATOM 0 HA LEU B 82 13.476 -6.271 5.810 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.285 -8.309 3.567 1.00 0.00 H new ATOM 0 HB3 LEU B 82 12.004 -8.060 4.737 1.00 0.00 H new ATOM 0 HG LEU B 82 13.082 -5.849 2.971 1.00 0.00 H new ATOM 0 HD11 LEU B 82 11.084 -6.216 1.572 1.00 0.00 H new ATOM 0 HD12 LEU B 82 12.155 -7.637 1.574 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.667 -7.643 2.550 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.953 -4.748 3.546 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.529 -6.124 4.592 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.926 -5.099 4.994 1.00 0.00 H new ATOM 1913 N GLN B 83 14.969 -9.195 5.832 1.00 0.00 N ATOM 1914 CA GLN B 83 15.325 -10.331 6.666 1.00 0.00 C ATOM 1915 C GLN B 83 16.368 -9.924 7.702 1.00 0.00 C ATOM 1916 O GLN B 83 16.206 -10.173 8.895 1.00 0.00 O ATOM 1917 CB GLN B 83 15.864 -11.470 5.799 1.00 0.00 C ATOM 1918 CG GLN B 83 14.820 -12.079 4.877 1.00 0.00 C ATOM 1919 CD GLN B 83 13.857 -12.989 5.613 1.00 0.00 C ATOM 1920 OE1 GLN B 83 14.229 -13.660 6.576 1.00 0.00 O ATOM 1921 NE2 GLN B 83 12.614 -13.021 5.168 1.00 0.00 N ATOM 0 H GLN B 83 15.433 -9.178 4.924 1.00 0.00 H new ATOM 0 HA GLN B 83 14.431 -10.674 7.187 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.694 -11.097 5.199 1.00 0.00 H new ATOM 0 HB3 GLN B 83 16.264 -12.250 6.446 1.00 0.00 H new ATOM 0 HG2 GLN B 83 14.260 -11.281 4.390 1.00 0.00 H new ATOM 0 HG3 GLN B 83 15.320 -12.644 4.090 1.00 0.00 H new ATOM 0 HE21 GLN B 83 12.344 -12.450 4.367 1.00 0.00 H new ATOM 0 HE22 GLN B 83 11.924 -13.617 5.625 1.00 0.00 H new ATOM 1930 N LEU B 84 17.444 -9.311 7.220 1.00 0.00 N ATOM 1931 CA LEU B 84 18.547 -8.857 8.065 1.00 0.00 C ATOM 1932 C LEU B 84 18.100 -7.978 9.239 1.00 0.00 C ATOM 1933 O LEU B 84 18.301 -8.340 10.398 1.00 0.00 O ATOM 1934 CB LEU B 84 19.554 -8.090 7.206 1.00 0.00 C ATOM 1935 CG LEU B 84 20.849 -7.686 7.908 1.00 0.00 C ATOM 1936 CD1 LEU B 84 21.671 -8.915 8.262 1.00 0.00 C ATOM 1937 CD2 LEU B 84 21.649 -6.739 7.029 1.00 0.00 C ATOM 0 H LEU B 84 17.578 -9.113 6.228 1.00 0.00 H new ATOM 0 HA LEU B 84 18.999 -9.748 8.501 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.807 -8.703 6.341 1.00 0.00 H new ATOM 0 HB3 LEU B 84 19.070 -7.189 6.828 1.00 0.00 H new ATOM 0 HG LEU B 84 20.597 -7.169 8.834 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.590 -8.607 8.761 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.095 -9.559 8.927 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.918 -9.462 7.352 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.570 -6.458 7.540 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.892 -7.234 6.089 1.00 0.00 H new ATOM 0 HD23 LEU B 84 21.059 -5.845 6.827 1.00 0.00 H new ATOM 1949 N SER B 85 17.508 -6.831 8.939 1.00 0.00 N ATOM 1950 CA SER B 85 17.079 -5.899 9.977 1.00 0.00 C ATOM 1951 C SER B 85 15.813 -6.372 10.685 1.00 0.00 C ATOM 1952 O SER B 85 15.676 -6.196 11.900 1.00 0.00 O ATOM 1953 CB SER B 85 16.856 -4.514 9.372 1.00 0.00 C ATOM 1954 OG SER B 85 17.998 -4.088 8.647 1.00 0.00 O ATOM 0 H SER B 85 17.313 -6.522 7.987 1.00 0.00 H new ATOM 0 HA SER B 85 17.871 -5.850 10.724 1.00 0.00 H new ATOM 0 HB2 SER B 85 15.989 -4.537 8.712 1.00 0.00 H new ATOM 0 HB3 SER B 85 16.635 -3.798 10.164 1.00 0.00 H new ATOM 0 HG SER B 85 17.832 -3.200 8.267 1.00 0.00 H new ATOM 1960 N LYS B 86 14.899 -6.967 9.922 1.00 0.00 N ATOM 1961 CA LYS B 86 13.637 -7.461 10.464 1.00 0.00 C ATOM 1962 C LYS B 86 12.837 -6.315 11.085 1.00 0.00 C ATOM 1963 O LYS B 86 12.123 -6.550 12.086 1.00 0.00 O ATOM 1964 CB LYS B 86 13.887 -8.558 11.505 1.00 0.00 C ATOM 1965 CG LYS B 86 13.379 -9.925 11.092 1.00 0.00 C ATOM 1966 CD LYS B 86 12.789 -10.671 12.275 1.00 0.00 C ATOM 1967 CE LYS B 86 12.083 -11.941 11.838 1.00 0.00 C ATOM 1968 NZ LYS B 86 11.191 -11.707 10.672 1.00 0.00 N ATOM 1969 OXT LYS B 86 12.942 -5.180 10.578 1.00 0.00 O ATOM 0 H LYS B 86 15.011 -7.119 8.920 1.00 0.00 H new ATOM 0 HA LYS B 86 13.058 -7.888 9.645 1.00 0.00 H new ATOM 0 HB2 LYS B 86 14.957 -8.623 11.700 1.00 0.00 H new ATOM 0 HB3 LYS B 86 13.409 -8.272 12.442 1.00 0.00 H new ATOM 0 HG2 LYS B 86 12.623 -9.815 10.314 1.00 0.00 H new ATOM 0 HG3 LYS B 86 14.196 -10.505 10.663 1.00 0.00 H new ATOM 0 HD2 LYS B 86 13.581 -10.919 12.981 1.00 0.00 H new ATOM 0 HD3 LYS B 86 12.085 -10.025 12.799 1.00 0.00 H new ATOM 0 HE2 LYS B 86 12.824 -12.698 11.582 1.00 0.00 H new ATOM 0 HE3 LYS B 86 11.498 -12.335 12.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 10.500 -12.481 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 10.689 -10.805 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 11.759 -11.671 9.802 1.00 0.00 H new TER 1983 LYS B 86