USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 6 LYS NZ :NH3+ -168:sc= 0.269 (180deg=0) USER MOD Set 1.2: B 68 HIS : no HE2:sc= 0.25 K(o=0.52,f=-0.89) USER MOD Set 2.1: B 55 THR OG1 : rot 121:sc= 0.201 USER MOD Set 2.2: B 57 SER OG : rot 180:sc= 0.195 USER MOD Set 3.1: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 19 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 7 THR OG1 : rot 109:sc= 1.04 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.903 USER MOD Set 5.1: A 16 CYS SG : rot -102:sc= -0.14! USER MOD Set 5.2: A 18 THR OG1 : rot 118:sc= 1.21 USER MOD Set 5.3: A 20 CYS SG : rot -106:sc= 0.103 USER MOD Set 5.4: A 32 CYS SG : rot -90:sc= 0.538 USER MOD Set 5.5: A 35 CYS SG : rot -167:sc= 0.212 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.99 K(o=-0.99,f=-5.5!) USER MOD Single : A 28 THR OG1 : rot -13:sc= 1.18 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 31 MET CE :methyl 170:sc= -0.0881 (180deg=-0.242) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00356 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -1.86 F(o=-4.1,f=-1.9) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.8!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 179:sc= 1.59 (180deg=1.59) USER MOD Single : B 2 GLN :FLIP amide:sc= 0.00926 F(o=-2,f=0.0093) USER MOD Single : B 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00011) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -79:sc= 0.097 USER MOD Single : B 20 SER OG : rot 180:sc= 0.00377 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.235 USER MOD Single : B 25 ASN :FLIP amide:sc= -0.14 F(o=-4!,f=-0.14) USER MOD Single : B 27 LYS NZ :NH3+ -148:sc= 0.0835 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.99) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.117 F(o=-1.7!,f=-0.12) USER MOD Single : B 41 GLN : amide:sc= -1.95! C(o=-1.9!,f=-3.9!) USER MOD Single : B 48 LYS NZ :NH3+ -159:sc= 0.641 (180deg=0.203) USER MOD Single : B 49 GLN : amide:sc= -0.301 K(o=-0.3,f=-3.3!) USER MOD Single : B 59 TYR OH : rot -62:sc= 1.14 USER MOD Single : B 60 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.4!) USER MOD Single : B 62 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 89:sc= 0.577 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 13 9.136 -10.391 -2.826 1.00 10.00 N ATOM 9 CA PRO A 13 9.469 -9.253 -3.689 1.00 10.00 C ATOM 10 C PRO A 13 8.294 -8.288 -3.847 1.00 10.00 C ATOM 11 O PRO A 13 7.604 -8.294 -4.869 1.00 10.00 O ATOM 12 CB PRO A 13 9.849 -9.902 -5.028 1.00 10.00 C ATOM 13 CG PRO A 13 9.181 -11.240 -5.027 1.00 10.00 C ATOM 14 CD PRO A 13 9.049 -11.661 -3.580 1.00 10.00 C ATOM 0 HA PRO A 13 10.272 -8.644 -3.274 1.00 10.00 H new ATOM 0 HB2 PRO A 13 9.511 -9.295 -5.868 1.00 10.00 H new ATOM 0 HB3 PRO A 13 10.930 -10.003 -5.122 1.00 10.00 H new ATOM 0 HG2 PRO A 13 8.203 -11.184 -5.504 1.00 10.00 H new ATOM 0 HG3 PRO A 13 9.769 -11.966 -5.589 1.00 10.00 H new ATOM 0 HD2 PRO A 13 8.102 -12.169 -3.397 1.00 10.00 H new ATOM 0 HD3 PRO A 13 9.842 -12.351 -3.292 1.00 10.00 H new ATOM 22 N MET A 14 8.081 -7.454 -2.824 1.00 10.00 N ATOM 23 CA MET A 14 6.991 -6.480 -2.841 1.00 10.00 C ATOM 24 C MET A 14 7.304 -5.350 -3.824 1.00 10.00 C ATOM 25 O MET A 14 7.787 -4.285 -3.435 1.00 10.00 O ATOM 26 CB MET A 14 6.762 -5.917 -1.430 1.00 10.00 C ATOM 27 CG MET A 14 5.957 -6.924 -0.602 1.00 10.00 C ATOM 28 SD MET A 14 4.235 -6.932 -1.166 1.00 10.00 S ATOM 29 CE MET A 14 3.459 -7.182 0.447 1.00 10.00 C ATOM 0 H MET A 14 8.649 -7.436 -1.977 1.00 10.00 H new ATOM 0 HA MET A 14 6.079 -6.979 -3.168 1.00 10.00 H new ATOM 0 HB2 MET A 14 7.719 -5.716 -0.948 1.00 10.00 H new ATOM 0 HB3 MET A 14 6.228 -4.968 -1.488 1.00 10.00 H new ATOM 0 HG2 MET A 14 6.388 -7.920 -0.702 1.00 10.00 H new ATOM 0 HG3 MET A 14 6.003 -6.661 0.455 1.00 10.00 H new ATOM 0 HE1 MET A 14 2.376 -7.218 0.328 1.00 10.00 H new ATOM 0 HE2 MET A 14 3.808 -8.121 0.877 1.00 10.00 H new ATOM 0 HE3 MET A 14 3.724 -6.358 1.110 1.00 10.00 H new ATOM 39 N LEU A 15 7.030 -5.603 -5.108 1.00 10.00 N ATOM 40 CA LEU A 15 7.287 -4.616 -6.156 1.00 10.00 C ATOM 41 C LEU A 15 6.236 -3.505 -6.108 1.00 10.00 C ATOM 42 O LEU A 15 5.077 -3.757 -5.785 1.00 10.00 O ATOM 43 CB LEU A 15 7.276 -5.312 -7.536 1.00 10.00 C ATOM 44 CG LEU A 15 8.603 -5.079 -8.279 1.00 10.00 C ATOM 45 CD1 LEU A 15 9.756 -5.746 -7.522 1.00 10.00 C ATOM 46 CD2 LEU A 15 8.505 -5.681 -9.682 1.00 10.00 C ATOM 0 H LEU A 15 6.632 -6.480 -5.443 1.00 10.00 H new ATOM 0 HA LEU A 15 8.267 -4.166 -5.993 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.110 -6.381 -7.407 1.00 10.00 H new ATOM 0 HB3 LEU A 15 6.448 -4.930 -8.134 1.00 10.00 H new ATOM 0 HG LEU A 15 8.793 -4.008 -8.344 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.690 -5.575 -8.057 1.00 10.00 H new ATOM 0 HD12 LEU A 15 9.828 -5.321 -6.521 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.571 -6.818 -7.449 1.00 10.00 H new ATOM 0 HD21 LEU A 15 9.443 -5.519 -10.214 1.00 10.00 H new ATOM 0 HD22 LEU A 15 8.311 -6.751 -9.606 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.691 -5.203 -10.227 1.00 10.00 H new ATOM 58 N CYS A 16 6.660 -2.269 -6.412 1.00 10.00 N ATOM 59 CA CYS A 16 5.769 -1.094 -6.383 1.00 10.00 C ATOM 60 C CYS A 16 4.393 -1.345 -7.027 1.00 10.00 C ATOM 61 O CYS A 16 4.292 -1.895 -8.123 1.00 10.00 O ATOM 62 CB CYS A 16 6.443 0.084 -7.091 1.00 10.00 C ATOM 63 SG CYS A 16 5.639 1.624 -6.581 1.00 10.00 S ATOM 0 H CYS A 16 7.620 -2.054 -6.683 1.00 10.00 H new ATOM 0 HA CYS A 16 5.593 -0.872 -5.331 1.00 10.00 H new ATOM 0 HB2 CYS A 16 7.504 0.114 -6.843 1.00 10.00 H new ATOM 0 HB3 CYS A 16 6.372 -0.037 -8.172 1.00 10.00 H new ATOM 0 HG CYS A 16 4.831 2.023 -7.518 1.00 10.00 H new ATOM 68 N SER A 17 3.346 -0.933 -6.305 1.00 10.00 N ATOM 69 CA SER A 17 1.969 -1.106 -6.770 1.00 10.00 C ATOM 70 C SER A 17 1.696 -0.274 -8.025 1.00 10.00 C ATOM 71 O SER A 17 0.906 -0.682 -8.880 1.00 10.00 O ATOM 72 CB SER A 17 0.991 -0.703 -5.664 1.00 10.00 C ATOM 73 OG SER A 17 1.248 -1.482 -4.505 1.00 10.00 O ATOM 0 H SER A 17 3.428 -0.477 -5.396 1.00 10.00 H new ATOM 0 HA SER A 17 1.829 -2.158 -7.020 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.099 0.357 -5.435 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.036 -0.854 -5.998 1.00 10.00 H new ATOM 0 HG SER A 17 0.625 -1.226 -3.794 1.00 10.00 H new ATOM 79 N THR A 18 2.343 0.890 -8.128 1.00 10.00 N ATOM 80 CA THR A 18 2.144 1.767 -9.286 1.00 10.00 C ATOM 81 C THR A 18 2.809 1.213 -10.560 1.00 10.00 C ATOM 82 O THR A 18 2.516 1.689 -11.657 1.00 10.00 O ATOM 83 CB THR A 18 2.687 3.168 -8.987 1.00 10.00 C ATOM 84 OG1 THR A 18 4.062 3.083 -8.655 1.00 10.00 O ATOM 85 CG2 THR A 18 1.911 3.784 -7.819 1.00 10.00 C ATOM 0 H THR A 18 3.001 1.244 -7.434 1.00 10.00 H new ATOM 0 HA THR A 18 1.071 1.817 -9.470 1.00 10.00 H new ATOM 0 HB THR A 18 2.567 3.797 -9.869 1.00 10.00 H new ATOM 0 HG1 THR A 18 4.589 3.585 -9.312 1.00 10.00 H new ATOM 0 HG21 THR A 18 2.300 4.780 -7.609 1.00 10.00 H new ATOM 0 HG22 THR A 18 0.855 3.854 -8.080 1.00 10.00 H new ATOM 0 HG23 THR A 18 2.025 3.156 -6.935 1.00 10.00 H new ATOM 93 N GLY A 19 3.686 0.204 -10.421 1.00 10.00 N ATOM 94 CA GLY A 19 4.350 -0.391 -11.584 1.00 10.00 C ATOM 95 C GLY A 19 5.450 0.512 -12.130 1.00 10.00 C ATOM 96 O GLY A 19 5.564 0.687 -13.345 1.00 10.00 O ATOM 0 H GLY A 19 3.946 -0.209 -9.526 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.776 -1.355 -11.306 1.00 10.00 H new ATOM 0 HA3 GLY A 19 3.614 -0.581 -12.365 1.00 10.00 H new ATOM 100 N CYS A 20 6.260 1.082 -11.240 1.00 10.00 N ATOM 101 CA CYS A 20 7.342 1.973 -11.657 1.00 10.00 C ATOM 102 C CYS A 20 8.611 1.192 -12.056 1.00 10.00 C ATOM 103 O CYS A 20 9.507 1.752 -12.685 1.00 10.00 O ATOM 104 CB CYS A 20 7.650 2.989 -10.544 1.00 10.00 C ATOM 105 SG CYS A 20 8.432 2.250 -9.098 1.00 10.00 S ATOM 0 H CYS A 20 6.189 0.944 -10.232 1.00 10.00 H new ATOM 0 HA CYS A 20 7.007 2.511 -12.544 1.00 10.00 H new ATOM 0 HB2 CYS A 20 8.301 3.767 -10.942 1.00 10.00 H new ATOM 0 HB3 CYS A 20 6.723 3.474 -10.239 1.00 10.00 H new ATOM 0 HG CYS A 20 7.572 2.186 -8.125 1.00 10.00 H new ATOM 110 N GLY A 21 8.686 -0.104 -11.693 1.00 10.00 N ATOM 111 CA GLY A 21 9.849 -0.928 -12.049 1.00 10.00 C ATOM 112 C GLY A 21 10.901 -1.010 -10.932 1.00 10.00 C ATOM 113 O GLY A 21 11.964 -1.597 -11.134 1.00 10.00 O ATOM 0 H GLY A 21 7.965 -0.593 -11.162 1.00 10.00 H new ATOM 0 HA2 GLY A 21 9.511 -1.935 -12.295 1.00 10.00 H new ATOM 0 HA3 GLY A 21 10.313 -0.520 -12.947 1.00 10.00 H new ATOM 117 N PHE A 22 10.605 -0.428 -9.764 1.00 10.00 N ATOM 118 CA PHE A 22 11.541 -0.445 -8.639 1.00 10.00 C ATOM 119 C PHE A 22 10.953 -1.185 -7.450 1.00 10.00 C ATOM 120 O PHE A 22 9.854 -1.728 -7.538 1.00 10.00 O ATOM 121 CB PHE A 22 11.915 0.990 -8.270 1.00 10.00 C ATOM 122 CG PHE A 22 12.807 1.597 -9.319 1.00 10.00 C ATOM 123 CD1 PHE A 22 14.177 1.375 -9.279 1.00 10.00 C ATOM 124 CD2 PHE A 22 12.278 2.342 -10.364 1.00 10.00 C ATOM 125 CE1 PHE A 22 15.009 1.891 -10.258 1.00 10.00 C ATOM 126 CE2 PHE A 22 13.106 2.866 -11.347 1.00 10.00 C ATOM 127 CZ PHE A 22 14.475 2.638 -11.294 1.00 10.00 C ATOM 0 H PHE A 22 9.728 0.058 -9.576 1.00 10.00 H new ATOM 0 HA PHE A 22 12.444 -0.980 -8.934 1.00 10.00 H new ATOM 0 HB2 PHE A 22 11.011 1.590 -8.163 1.00 10.00 H new ATOM 0 HB3 PHE A 22 12.421 1.002 -7.305 1.00 10.00 H new ATOM 0 HD1 PHE A 22 14.599 0.792 -8.474 1.00 10.00 H new ATOM 0 HD2 PHE A 22 11.213 2.515 -10.413 1.00 10.00 H new ATOM 0 HE1 PHE A 22 16.073 1.711 -10.214 1.00 10.00 H new ATOM 0 HE2 PHE A 22 12.686 3.450 -12.152 1.00 10.00 H new ATOM 0 HZ PHE A 22 15.121 3.042 -12.059 1.00 10.00 H new ATOM 137 N TYR A 23 11.691 -1.205 -6.342 1.00 10.00 N ATOM 138 CA TYR A 23 11.241 -1.889 -5.139 1.00 10.00 C ATOM 139 C TYR A 23 10.655 -0.907 -4.124 1.00 10.00 C ATOM 140 O TYR A 23 11.147 0.205 -3.978 1.00 10.00 O ATOM 141 CB TYR A 23 12.396 -2.663 -4.502 1.00 10.00 C ATOM 142 CG TYR A 23 12.502 -4.072 -5.031 1.00 10.00 C ATOM 143 CD1 TYR A 23 11.762 -5.111 -4.479 1.00 10.00 C ATOM 144 CD2 TYR A 23 13.334 -4.347 -6.107 1.00 10.00 C ATOM 145 CE1 TYR A 23 11.855 -6.396 -4.991 1.00 10.00 C ATOM 146 CE2 TYR A 23 13.434 -5.625 -6.623 1.00 10.00 C ATOM 147 CZ TYR A 23 12.693 -6.647 -6.065 1.00 10.00 C ATOM 148 OH TYR A 23 12.792 -7.929 -6.572 1.00 10.00 O ATOM 0 H TYR A 23 12.602 -0.755 -6.256 1.00 10.00 H new ATOM 0 HA TYR A 23 10.456 -2.587 -5.431 1.00 10.00 H new ATOM 0 HB2 TYR A 23 13.331 -2.135 -4.690 1.00 10.00 H new ATOM 0 HB3 TYR A 23 12.258 -2.693 -3.421 1.00 10.00 H new ATOM 0 HD1 TYR A 23 11.108 -4.915 -3.642 1.00 10.00 H new ATOM 0 HD2 TYR A 23 13.913 -3.549 -6.548 1.00 10.00 H new ATOM 0 HE1 TYR A 23 11.277 -7.197 -4.555 1.00 10.00 H new ATOM 0 HE2 TYR A 23 14.089 -5.823 -7.459 1.00 10.00 H new ATOM 0 HH TYR A 23 13.420 -7.936 -7.324 1.00 10.00 H new ATOM 158 N GLY A 24 9.596 -1.336 -3.431 1.00 10.00 N ATOM 159 CA GLY A 24 8.951 -0.497 -2.430 1.00 10.00 C ATOM 160 C GLY A 24 9.194 -1.011 -1.023 1.00 10.00 C ATOM 161 O GLY A 24 9.555 -2.174 -0.838 1.00 10.00 O ATOM 0 H GLY A 24 9.172 -2.256 -3.548 1.00 10.00 H new ATOM 0 HA2 GLY A 24 9.326 0.523 -2.514 1.00 10.00 H new ATOM 0 HA3 GLY A 24 7.879 -0.459 -2.623 1.00 10.00 H new ATOM 165 N ASN A 25 9.003 -0.148 -0.027 1.00 10.00 N ATOM 166 CA ASN A 25 9.208 -0.532 1.365 1.00 10.00 C ATOM 167 C ASN A 25 7.927 -1.120 1.959 1.00 10.00 C ATOM 168 O ASN A 25 6.874 -0.509 1.889 1.00 10.00 O ATOM 169 CB ASN A 25 9.619 0.678 2.200 1.00 10.00 C ATOM 170 CG ASN A 25 11.039 1.131 1.875 1.00 10.00 C ATOM 171 OD1 ASN A 25 11.513 0.951 0.762 1.00 10.00 O ATOM 172 ND2 ASN A 25 11.732 1.736 2.834 1.00 10.00 N ATOM 0 H ASN A 25 8.707 0.819 -0.159 1.00 10.00 H new ATOM 0 HA ASN A 25 9.999 -1.282 1.386 1.00 10.00 H new ATOM 0 HB2 ASN A 25 8.925 1.498 2.018 1.00 10.00 H new ATOM 0 HB3 ASN A 25 9.549 0.430 3.259 1.00 10.00 H new ATOM 0 HD21 ASN A 25 12.681 2.062 2.650 1.00 10.00 H new ATOM 0 HD22 ASN A 25 11.315 1.875 3.754 1.00 10.00 H new ATOM 179 N PRO A 26 7.971 -2.325 2.561 1.00 10.00 N ATOM 180 CA PRO A 26 6.754 -2.945 3.173 1.00 10.00 C ATOM 181 C PRO A 26 6.264 -2.167 4.400 1.00 10.00 C ATOM 182 O PRO A 26 5.097 -2.288 4.785 1.00 10.00 O ATOM 183 CB PRO A 26 7.202 -4.353 3.547 1.00 10.00 C ATOM 184 CG PRO A 26 8.679 -4.256 3.719 1.00 10.00 C ATOM 185 CD PRO A 26 9.149 -3.208 2.717 1.00 10.00 C ATOM 0 HA PRO A 26 5.906 -2.943 2.488 1.00 10.00 H new ATOM 0 HB2 PRO A 26 6.719 -4.690 4.464 1.00 10.00 H new ATOM 0 HB3 PRO A 26 6.942 -5.070 2.768 1.00 10.00 H new ATOM 0 HG2 PRO A 26 8.935 -3.965 4.738 1.00 10.00 H new ATOM 0 HG3 PRO A 26 9.158 -5.217 3.532 1.00 10.00 H new ATOM 0 HD2 PRO A 26 10.015 -2.660 3.087 1.00 10.00 H new ATOM 0 HD3 PRO A 26 9.439 -3.661 1.769 1.00 10.00 H new ATOM 193 N ARG A 27 7.136 -1.334 4.986 1.00 10.00 N ATOM 194 CA ARG A 27 6.750 -0.509 6.135 1.00 10.00 C ATOM 195 C ARG A 27 5.886 0.668 5.662 1.00 10.00 C ATOM 196 O ARG A 27 4.985 1.113 6.373 1.00 10.00 O ATOM 197 CB ARG A 27 7.997 0.037 6.837 1.00 10.00 C ATOM 198 CG ARG A 27 8.686 -1.084 7.617 1.00 10.00 C ATOM 199 CD ARG A 27 9.842 -0.503 8.441 1.00 10.00 C ATOM 200 NE ARG A 27 9.346 0.014 9.726 1.00 10.00 N ATOM 201 CZ ARG A 27 10.142 0.635 10.619 1.00 10.00 C ATOM 202 NH1 ARG A 27 11.433 0.787 10.415 1.00 10.00 N ATOM 203 NH2 ARG A 27 9.620 1.094 11.724 1.00 10.00 N ATOM 0 H ARG A 27 8.104 -1.216 4.686 1.00 10.00 H new ATOM 0 HA ARG A 27 6.184 -1.126 6.832 1.00 10.00 H new ATOM 0 HB2 ARG A 27 8.684 0.457 6.103 1.00 10.00 H new ATOM 0 HB3 ARG A 27 7.720 0.846 7.513 1.00 10.00 H new ATOM 0 HG2 ARG A 27 7.970 -1.577 8.274 1.00 10.00 H new ATOM 0 HG3 ARG A 27 9.061 -1.842 6.929 1.00 10.00 H new ATOM 0 HD2 ARG A 27 10.594 -1.272 8.617 1.00 10.00 H new ATOM 0 HD3 ARG A 27 10.329 0.297 7.883 1.00 10.00 H new ATOM 0 HE ARG A 27 8.358 -0.102 9.951 1.00 10.00 H new ATOM 0 HH11 ARG A 27 11.860 0.430 9.560 1.00 10.00 H new ATOM 0 HH12 ARG A 27 12.007 1.262 11.112 1.00 10.00 H new ATOM 0 HH21 ARG A 27 8.622 0.980 11.902 1.00 10.00 H new ATOM 0 HH22 ARG A 27 10.210 1.566 12.409 1.00 10.00 H new ATOM 217 N THR A 28 6.160 1.139 4.435 1.00 10.00 N ATOM 218 CA THR A 28 5.395 2.232 3.847 1.00 10.00 C ATOM 219 C THR A 28 4.067 1.657 3.312 1.00 10.00 C ATOM 220 O THR A 28 3.594 0.641 3.825 1.00 10.00 O ATOM 221 CB THR A 28 6.222 2.912 2.734 1.00 10.00 C ATOM 222 OG1 THR A 28 6.449 1.983 1.684 1.00 10.00 O ATOM 223 CG2 THR A 28 7.569 3.398 3.287 1.00 10.00 C ATOM 0 H THR A 28 6.904 0.777 3.839 1.00 10.00 H new ATOM 0 HA THR A 28 5.171 2.996 4.591 1.00 10.00 H new ATOM 0 HB THR A 28 5.668 3.771 2.357 1.00 10.00 H new ATOM 0 HG1 THR A 28 6.223 1.080 1.991 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.139 3.875 2.490 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.396 4.116 4.088 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.130 2.549 3.676 1.00 10.00 H new ATOM 231 N ASN A 29 3.465 2.293 2.299 1.00 10.00 N ATOM 232 CA ASN A 29 2.202 1.815 1.733 1.00 10.00 C ATOM 233 C ASN A 29 2.423 0.822 0.580 1.00 10.00 C ATOM 234 O ASN A 29 1.577 0.709 -0.311 1.00 10.00 O ATOM 235 CB ASN A 29 1.394 3.019 1.234 1.00 10.00 C ATOM 236 CG ASN A 29 0.667 3.675 2.404 1.00 10.00 C ATOM 237 OD1 ASN A 29 1.283 3.973 3.426 1.00 10.00 O ATOM 238 ND2 ASN A 29 -0.608 3.916 2.317 1.00 10.00 N ATOM 0 H ASN A 29 3.832 3.136 1.858 1.00 10.00 H new ATOM 0 HA ASN A 29 1.658 1.286 2.515 1.00 10.00 H new ATOM 0 HB2 ASN A 29 2.057 3.740 0.756 1.00 10.00 H new ATOM 0 HB3 ASN A 29 0.674 2.699 0.481 1.00 10.00 H new ATOM 0 HD21 ASN A 29 -1.099 4.353 3.097 1.00 10.00 H new ATOM 0 HD22 ASN A 29 -1.117 3.668 1.469 1.00 10.00 H new ATOM 245 N GLY A 30 3.564 0.115 0.582 1.00 10.00 N ATOM 246 CA GLY A 30 3.872 -0.835 -0.485 1.00 10.00 C ATOM 247 C GLY A 30 4.527 -0.132 -1.684 1.00 10.00 C ATOM 248 O GLY A 30 4.657 -0.730 -2.756 1.00 10.00 O ATOM 0 H GLY A 30 4.279 0.186 1.306 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.539 -1.609 -0.105 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.957 -1.333 -0.807 1.00 10.00 H new ATOM 252 N MET A 31 4.918 1.145 -1.511 1.00 10.00 N ATOM 253 CA MET A 31 5.526 1.914 -2.591 1.00 10.00 C ATOM 254 C MET A 31 6.918 2.415 -2.197 1.00 10.00 C ATOM 255 O MET A 31 7.264 2.458 -1.014 1.00 10.00 O ATOM 256 CB MET A 31 4.636 3.115 -2.915 1.00 10.00 C ATOM 257 CG MET A 31 3.546 2.711 -3.908 1.00 10.00 C ATOM 258 SD MET A 31 2.268 1.744 -3.066 1.00 10.00 S ATOM 259 CE MET A 31 0.829 2.576 -3.792 1.00 10.00 C ATOM 0 H MET A 31 4.820 1.656 -0.634 1.00 10.00 H new ATOM 0 HA MET A 31 5.625 1.266 -3.462 1.00 10.00 H new ATOM 0 HB2 MET A 31 4.182 3.498 -2.001 1.00 10.00 H new ATOM 0 HB3 MET A 31 5.239 3.921 -3.333 1.00 10.00 H new ATOM 0 HG2 MET A 31 3.104 3.600 -4.357 1.00 10.00 H new ATOM 0 HG3 MET A 31 3.980 2.127 -4.719 1.00 10.00 H new ATOM 0 HE1 MET A 31 -0.076 2.020 -3.545 1.00 10.00 H new ATOM 0 HE2 MET A 31 0.754 3.588 -3.393 1.00 10.00 H new ATOM 0 HE3 MET A 31 0.943 2.621 -4.875 1.00 10.00 H new ATOM 269 N CYS A 32 7.703 2.787 -3.202 1.00 10.00 N ATOM 270 CA CYS A 32 9.052 3.292 -2.982 1.00 10.00 C ATOM 271 C CYS A 32 8.988 4.692 -2.352 1.00 10.00 C ATOM 272 O CYS A 32 7.914 5.156 -1.984 1.00 10.00 O ATOM 273 CB CYS A 32 9.820 3.290 -4.316 1.00 10.00 C ATOM 274 SG CYS A 32 9.008 4.248 -5.608 1.00 10.00 S ATOM 0 H CYS A 32 7.425 2.748 -4.183 1.00 10.00 H new ATOM 0 HA CYS A 32 9.589 2.647 -2.286 1.00 10.00 H new ATOM 0 HB2 CYS A 32 10.821 3.690 -4.152 1.00 10.00 H new ATOM 0 HB3 CYS A 32 9.940 2.262 -4.657 1.00 10.00 H new ATOM 0 HG CYS A 32 8.198 3.480 -6.274 1.00 10.00 H new ATOM 279 N SER A 33 10.128 5.366 -2.217 1.00 10.00 N ATOM 280 CA SER A 33 10.162 6.699 -1.594 1.00 10.00 C ATOM 281 C SER A 33 9.654 7.807 -2.522 1.00 10.00 C ATOM 282 O SER A 33 9.379 8.921 -2.074 1.00 10.00 O ATOM 283 CB SER A 33 11.589 7.030 -1.151 1.00 10.00 C ATOM 284 OG SER A 33 12.480 6.876 -2.220 1.00 10.00 O ATOM 0 H SER A 33 11.036 5.020 -2.526 1.00 10.00 H new ATOM 0 HA SER A 33 9.491 6.660 -0.736 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.633 8.053 -0.777 1.00 10.00 H new ATOM 0 HB3 SER A 33 11.882 6.378 -0.328 1.00 10.00 H new ATOM 0 HG SER A 33 13.388 7.092 -1.923 1.00 10.00 H new ATOM 290 N VAL A 34 9.521 7.490 -3.806 1.00 10.00 N ATOM 291 CA VAL A 34 9.080 8.465 -4.803 1.00 10.00 C ATOM 292 C VAL A 34 7.549 8.570 -4.894 1.00 10.00 C ATOM 293 O VAL A 34 7.002 9.671 -4.972 1.00 10.00 O ATOM 294 CB VAL A 34 9.652 8.121 -6.195 1.00 10.00 C ATOM 295 CG1 VAL A 34 9.333 9.236 -7.188 1.00 10.00 C ATOM 296 CG2 VAL A 34 11.164 7.902 -6.116 1.00 10.00 C ATOM 0 H VAL A 34 9.713 6.562 -4.184 1.00 10.00 H new ATOM 0 HA VAL A 34 9.461 9.432 -4.474 1.00 10.00 H new ATOM 0 HB VAL A 34 9.186 7.198 -6.540 1.00 10.00 H new ATOM 0 HG11 VAL A 34 9.742 8.981 -8.166 1.00 10.00 H new ATOM 0 HG12 VAL A 34 8.252 9.355 -7.267 1.00 10.00 H new ATOM 0 HG13 VAL A 34 9.777 10.170 -6.842 1.00 10.00 H new ATOM 0 HG21 VAL A 34 11.549 7.661 -7.107 1.00 10.00 H new ATOM 0 HG22 VAL A 34 11.645 8.810 -5.751 1.00 10.00 H new ATOM 0 HG23 VAL A 34 11.377 7.079 -5.434 1.00 10.00 H new ATOM 306 N CYS A 35 6.874 7.430 -4.869 1.00 10.00 N ATOM 307 CA CYS A 35 5.413 7.384 -4.964 1.00 10.00 C ATOM 308 C CYS A 35 4.730 7.601 -3.614 1.00 10.00 C ATOM 309 O CYS A 35 3.590 8.062 -3.565 1.00 10.00 O ATOM 310 CB CYS A 35 4.992 6.043 -5.552 1.00 10.00 C ATOM 311 SG CYS A 35 5.623 5.803 -7.222 1.00 10.00 S ATOM 0 H CYS A 35 7.315 6.514 -4.783 1.00 10.00 H new ATOM 0 HA CYS A 35 5.096 8.200 -5.613 1.00 10.00 H new ATOM 0 HB2 CYS A 35 5.351 5.238 -4.911 1.00 10.00 H new ATOM 0 HB3 CYS A 35 3.904 5.979 -5.564 1.00 10.00 H new ATOM 0 HG CYS A 35 5.022 4.790 -7.771 1.00 10.00 H new ATOM 316 N TYR A 36 5.441 7.296 -2.531 1.00 10.00 N ATOM 317 CA TYR A 36 4.896 7.449 -1.174 1.00 10.00 C ATOM 318 C TYR A 36 4.491 8.901 -0.871 1.00 10.00 C ATOM 319 O TYR A 36 3.388 9.142 -0.377 1.00 10.00 O ATOM 320 CB TYR A 36 5.927 6.939 -0.139 1.00 10.00 C ATOM 321 CG TYR A 36 5.427 7.073 1.298 1.00 10.00 C ATOM 322 CD1 TYR A 36 4.101 6.747 1.638 1.00 10.00 C ATOM 323 CD2 TYR A 36 6.308 7.516 2.290 1.00 10.00 C ATOM 324 CE1 TYR A 36 3.669 6.865 2.964 1.00 10.00 C ATOM 325 CE2 TYR A 36 5.874 7.635 3.616 1.00 10.00 C ATOM 326 CZ TYR A 36 4.555 7.310 3.954 1.00 10.00 C ATOM 327 OH TYR A 36 4.130 7.424 5.260 1.00 10.00 O ATOM 0 H TYR A 36 6.397 6.941 -2.561 1.00 10.00 H new ATOM 0 HA TYR A 36 3.988 6.850 -1.107 1.00 10.00 H new ATOM 0 HB2 TYR A 36 6.157 5.894 -0.344 1.00 10.00 H new ATOM 0 HB3 TYR A 36 6.856 7.498 -0.251 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.416 6.406 0.876 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.326 7.767 2.032 1.00 10.00 H new ATOM 0 HE1 TYR A 36 2.652 6.613 3.224 1.00 10.00 H new ATOM 0 HE2 TYR A 36 6.558 7.978 4.379 1.00 10.00 H new ATOM 0 HH TYR A 36 4.869 7.745 5.818 1.00 10.00 H new ATOM 337 N LYS A 37 5.379 9.853 -1.161 1.00 10.00 N ATOM 338 CA LYS A 37 5.084 11.261 -0.896 1.00 10.00 C ATOM 339 C LYS A 37 4.047 11.774 -1.893 1.00 10.00 C ATOM 340 O LYS A 37 3.114 12.487 -1.520 1.00 10.00 O ATOM 341 CB LYS A 37 6.362 12.119 -0.943 1.00 10.00 C ATOM 342 CG LYS A 37 7.032 12.044 -2.319 1.00 10.00 C ATOM 343 CD LYS A 37 8.309 12.882 -2.313 1.00 10.00 C ATOM 344 CE LYS A 37 8.813 13.051 -3.746 1.00 10.00 C ATOM 345 NZ LYS A 37 10.204 13.584 -3.723 1.00 10.00 N ATOM 0 H LYS A 37 6.295 9.679 -1.573 1.00 10.00 H new ATOM 0 HA LYS A 37 4.674 11.342 0.111 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.116 13.155 -0.712 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.059 11.779 -0.177 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.266 11.008 -2.565 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.350 12.408 -3.087 1.00 10.00 H new ATOM 0 HD2 LYS A 37 8.115 13.857 -1.867 1.00 10.00 H new ATOM 0 HD3 LYS A 37 9.071 12.398 -1.702 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.787 12.094 -4.267 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.161 13.730 -4.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.548 13.699 -4.698 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 10.215 14.505 -3.241 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 10.822 12.920 -3.214 1.00 10.00 H new ATOM 359 N GLU A 38 4.237 11.418 -3.166 1.00 10.00 N ATOM 360 CA GLU A 38 3.335 11.853 -4.236 1.00 10.00 C ATOM 361 C GLU A 38 1.876 11.491 -3.944 1.00 10.00 C ATOM 362 O GLU A 38 0.974 12.282 -4.235 1.00 10.00 O ATOM 363 CB GLU A 38 3.758 11.213 -5.563 1.00 10.00 C ATOM 364 CG GLU A 38 4.936 11.991 -6.156 1.00 10.00 C ATOM 365 CD GLU A 38 4.433 13.273 -6.812 1.00 10.00 C ATOM 366 OE1 GLU A 38 3.472 13.194 -7.556 1.00 10.00 O ATOM 367 OE2 GLU A 38 5.017 14.311 -6.555 1.00 10.00 O ATOM 0 H GLU A 38 5.008 10.829 -3.481 1.00 10.00 H new ATOM 0 HA GLU A 38 3.405 12.939 -4.299 1.00 10.00 H new ATOM 0 HB2 GLU A 38 4.040 10.172 -5.403 1.00 10.00 H new ATOM 0 HB3 GLU A 38 2.921 11.213 -6.261 1.00 10.00 H new ATOM 0 HG2 GLU A 38 5.656 12.231 -5.373 1.00 10.00 H new ATOM 0 HG3 GLU A 38 5.457 11.376 -6.890 1.00 10.00 H new ATOM 374 N HIS A 39 1.644 10.296 -3.382 1.00 10.00 N ATOM 375 CA HIS A 39 0.274 9.868 -3.083 1.00 10.00 C ATOM 376 C HIS A 39 -0.201 10.391 -1.717 1.00 10.00 C ATOM 377 O HIS A 39 -1.384 10.685 -1.535 1.00 10.00 O ATOM 378 CB HIS A 39 0.126 8.327 -3.219 1.00 10.00 C ATOM 379 CG HIS A 39 0.633 7.548 -2.018 1.00 10.00 C ATOM 380 ND1 HIS A 39 0.341 7.606 -0.675 1.00 10.00 N flip ATOM 381 CD2 HIS A 39 1.507 6.481 -2.161 1.00 10.00 C flip ATOM 382 CE1 HIS A 39 1.012 6.595 0.000 1.00 10.00 C flip ATOM 383 NE2 HIS A 39 1.699 5.944 -0.942 1.00 10.00 N flip ATOM 0 H HIS A 39 2.369 9.624 -3.131 1.00 10.00 H new ATOM 0 HA HIS A 39 -0.386 10.316 -3.826 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -0.925 8.086 -3.378 1.00 10.00 H new ATOM 0 HB3 HIS A 39 0.666 7.998 -4.107 1.00 10.00 H new ATOM 0 HD2 HIS A 39 1.953 6.142 -3.084 1.00 10.00 H new ATOM 0 HE1 HIS A 39 0.984 6.381 1.058 1.00 10.00 H new ATOM 0 HE2 HIS A 39 2.297 5.138 -0.760 1.00 10.00 H new ATOM 392 N LEU A 40 0.733 10.497 -0.767 1.00 10.00 N ATOM 393 CA LEU A 40 0.412 10.980 0.585 1.00 10.00 C ATOM 394 C LEU A 40 -0.106 12.424 0.558 1.00 10.00 C ATOM 395 O LEU A 40 -0.912 12.815 1.405 1.00 10.00 O ATOM 396 CB LEU A 40 1.660 10.901 1.472 1.00 10.00 C ATOM 397 CG LEU A 40 1.269 11.067 2.942 1.00 10.00 C ATOM 398 CD1 LEU A 40 0.613 9.775 3.444 1.00 10.00 C ATOM 399 CD2 LEU A 40 2.523 11.363 3.776 1.00 10.00 C ATOM 0 H LEU A 40 1.715 10.257 -0.905 1.00 10.00 H new ATOM 0 HA LEU A 40 -0.375 10.344 0.991 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.160 9.943 1.326 1.00 10.00 H new ATOM 0 HB3 LEU A 40 2.369 11.678 1.186 1.00 10.00 H new ATOM 0 HG LEU A 40 0.566 11.894 3.040 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.334 9.892 4.491 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -0.278 9.566 2.852 1.00 10.00 H new ATOM 0 HD13 LEU A 40 1.316 8.948 3.346 1.00 10.00 H new ATOM 0 HD21 LEU A 40 2.244 11.481 4.823 1.00 10.00 H new ATOM 0 HD22 LEU A 40 3.228 10.537 3.679 1.00 10.00 H new ATOM 0 HD23 LEU A 40 2.989 12.281 3.419 1.00 10.00 H new ATOM 411 N GLN A 41 0.368 13.204 -0.412 1.00 10.00 N ATOM 412 CA GLN A 41 -0.040 14.606 -0.540 1.00 10.00 C ATOM 413 C GLN A 41 -1.527 14.724 -0.893 1.00 10.00 C ATOM 414 O GLN A 41 -2.222 15.609 -0.383 1.00 10.00 O ATOM 415 CB GLN A 41 0.812 15.286 -1.621 1.00 10.00 C ATOM 416 CG GLN A 41 2.078 15.876 -0.988 1.00 10.00 C ATOM 417 CD GLN A 41 2.977 16.463 -2.069 1.00 10.00 C ATOM 418 OE1 GLN A 41 3.793 15.749 -2.655 1.00 10.00 O ATOM 419 NE2 GLN A 41 2.879 17.729 -2.366 1.00 10.00 N ATOM 0 H GLN A 41 1.033 12.892 -1.120 1.00 10.00 H new ATOM 0 HA GLN A 41 0.115 15.100 0.419 1.00 10.00 H new ATOM 0 HB2 GLN A 41 1.082 14.564 -2.392 1.00 10.00 H new ATOM 0 HB3 GLN A 41 0.237 16.073 -2.109 1.00 10.00 H new ATOM 0 HG2 GLN A 41 1.808 16.649 -0.269 1.00 10.00 H new ATOM 0 HG3 GLN A 41 2.614 15.102 -0.438 1.00 10.00 H new ATOM 0 HE21 GLN A 41 2.202 18.316 -1.879 1.00 10.00 H new ATOM 0 HE22 GLN A 41 3.479 18.132 -3.086 1.00 10.00 H new ATOM 428 N ARG A 42 -2.006 13.835 -1.764 1.00 10.00 N ATOM 429 CA ARG A 42 -3.413 13.849 -2.178 1.00 10.00 C ATOM 430 C ARG A 42 -4.309 13.205 -1.120 1.00 10.00 C ATOM 431 O ARG A 42 -5.471 13.588 -0.966 1.00 10.00 O ATOM 432 CB ARG A 42 -3.576 13.102 -3.499 1.00 10.00 C ATOM 433 CG ARG A 42 -2.965 13.934 -4.626 1.00 10.00 C ATOM 434 CD ARG A 42 -2.801 13.062 -5.872 1.00 10.00 C ATOM 435 NE ARG A 42 -2.000 13.764 -6.879 1.00 10.00 N ATOM 436 CZ ARG A 42 -2.462 14.823 -7.570 1.00 10.00 C ATOM 437 NH1 ARG A 42 -3.683 15.282 -7.409 1.00 10.00 N ATOM 438 NH2 ARG A 42 -1.678 15.406 -8.436 1.00 10.00 N ATOM 0 H ARG A 42 -1.446 13.100 -2.195 1.00 10.00 H new ATOM 0 HA ARG A 42 -3.714 14.889 -2.301 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -3.087 12.129 -3.443 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -4.632 12.918 -3.698 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -3.604 14.789 -4.849 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -1.998 14.331 -4.317 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -2.320 12.121 -5.605 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -3.780 12.815 -6.283 1.00 10.00 H new ATOM 0 HE ARG A 42 -1.052 13.436 -7.064 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -4.313 14.833 -6.744 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -4.001 16.087 -7.949 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -0.730 15.058 -8.581 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -2.013 16.209 -8.967 1.00 10.00 H new ATOM 452 N GLN A 43 -3.759 12.232 -0.392 1.00 10.00 N ATOM 453 CA GLN A 43 -4.508 11.545 0.654 1.00 10.00 C ATOM 454 C GLN A 43 -4.626 12.441 1.890 1.00 10.00 C ATOM 455 O GLN A 43 -5.661 12.457 2.558 1.00 10.00 O ATOM 456 CB GLN A 43 -3.797 10.240 1.022 1.00 10.00 C ATOM 457 CG GLN A 43 -4.796 9.250 1.628 1.00 10.00 C ATOM 458 CD GLN A 43 -5.484 8.442 0.530 1.00 10.00 C ATOM 459 OE1 GLN A 43 -4.901 8.195 -0.528 1.00 10.00 O ATOM 460 NE2 GLN A 43 -6.700 8.010 0.722 1.00 10.00 N ATOM 0 H GLN A 43 -2.800 11.905 -0.509 1.00 10.00 H new ATOM 0 HA GLN A 43 -5.509 11.319 0.287 1.00 10.00 H new ATOM 0 HB2 GLN A 43 -3.335 9.806 0.135 1.00 10.00 H new ATOM 0 HB3 GLN A 43 -2.996 10.441 1.733 1.00 10.00 H new ATOM 0 HG2 GLN A 43 -4.280 8.577 2.313 1.00 10.00 H new ATOM 0 HG3 GLN A 43 -5.542 9.789 2.212 1.00 10.00 H new ATOM 0 HE21 GLN A 43 -7.182 8.215 1.597 1.00 10.00 H new ATOM 0 HE22 GLN A 43 -7.169 7.468 -0.003 1.00 10.00 H new ATOM 469 N GLN A 44 -3.554 13.181 2.181 1.00 10.00 N ATOM 470 CA GLN A 44 -3.530 14.078 3.336 1.00 10.00 C ATOM 471 C GLN A 44 -4.386 15.320 3.082 1.00 10.00 C ATOM 472 O GLN A 44 -5.094 15.786 3.978 1.00 10.00 O ATOM 473 CB GLN A 44 -2.092 14.508 3.637 1.00 10.00 C ATOM 474 CG GLN A 44 -2.004 15.002 5.081 1.00 10.00 C ATOM 475 CD GLN A 44 -0.547 15.169 5.488 1.00 10.00 C ATOM 476 OE1 GLN A 44 -0.080 14.505 6.415 1.00 10.00 O ATOM 477 NE2 GLN A 44 0.204 16.021 4.850 1.00 10.00 N ATOM 0 H GLN A 44 -2.693 13.176 1.634 1.00 10.00 H new ATOM 0 HA GLN A 44 -3.939 13.538 4.190 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -1.411 13.671 3.485 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -1.785 15.298 2.951 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -2.529 15.952 5.181 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -2.497 14.294 5.747 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -0.185 16.569 4.083 1.00 10.00 H new ATOM 0 HE22 GLN A 44 1.181 16.140 5.117 1.00 10.00 H new ATOM 486 N ASN A 45 -4.307 15.852 1.860 1.00 10.00 N ATOM 487 CA ASN A 45 -5.074 17.047 1.496 1.00 10.00 C ATOM 488 C ASN A 45 -6.575 16.750 1.494 1.00 10.00 C ATOM 489 O ASN A 45 -7.375 17.558 1.970 1.00 10.00 O ATOM 490 CB ASN A 45 -4.647 17.544 0.108 1.00 10.00 C ATOM 491 CG ASN A 45 -3.383 18.394 0.219 1.00 10.00 C ATOM 492 OD1 ASN A 45 -3.203 19.116 1.200 1.00 10.00 O ATOM 493 ND2 ASN A 45 -2.491 18.352 -0.736 1.00 10.00 N ATOM 0 H ASN A 45 -3.725 15.478 1.111 1.00 10.00 H new ATOM 0 HA ASN A 45 -4.872 17.820 2.237 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.466 16.695 -0.551 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -5.450 18.130 -0.340 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.645 18.918 -0.669 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.641 17.753 -1.548 1.00 10.00 H new ATOM 500 N SER A 46 -6.944 15.588 0.951 1.00 10.00 N ATOM 501 CA SER A 46 -8.350 15.189 0.884 1.00 10.00 C ATOM 502 C SER A 46 -8.858 14.757 2.257 1.00 10.00 C ATOM 503 O SER A 46 -9.758 15.389 2.818 1.00 10.00 O ATOM 504 CB SER A 46 -8.521 14.040 -0.110 1.00 10.00 C ATOM 505 OG SER A 46 -9.865 14.015 -0.572 1.00 10.00 O ATOM 0 H SER A 46 -6.293 14.911 0.554 1.00 10.00 H new ATOM 0 HA SER A 46 -8.932 16.048 0.551 1.00 10.00 H new ATOM 0 HB2 SER A 46 -7.838 14.166 -0.950 1.00 10.00 H new ATOM 0 HB3 SER A 46 -8.270 13.092 0.366 1.00 10.00 H new ATOM 0 HG SER A 46 -9.978 13.280 -1.211 1.00 10.00 H new ATOM 512 N MET B 1 23.385 -0.353 9.507 1.00 10.00 N ATOM 513 CA MET B 1 23.676 -1.712 9.018 1.00 10.00 C ATOM 514 C MET B 1 24.940 -1.699 8.137 1.00 10.00 C ATOM 515 O MET B 1 25.229 -0.732 7.441 1.00 10.00 O ATOM 516 CB MET B 1 22.475 -2.244 8.218 1.00 10.00 C ATOM 517 CG MET B 1 22.229 -1.501 6.896 1.00 10.00 C ATOM 518 SD MET B 1 20.808 -2.123 5.933 1.00 10.00 S ATOM 519 CE MET B 1 21.139 -1.323 4.378 1.00 10.00 C ATOM 0 H1 MET B 1 22.521 -0.370 10.086 1.00 10.00 H new ATOM 0 H2 MET B 1 24.181 -0.013 10.083 1.00 10.00 H new ATOM 0 H3 MET B 1 23.246 0.285 8.697 1.00 10.00 H new ATOM 0 HA MET B 1 23.853 -2.368 9.870 1.00 10.00 H new ATOM 0 HB2 MET B 1 22.632 -3.301 8.005 1.00 10.00 H new ATOM 0 HB3 MET B 1 21.580 -2.173 8.835 1.00 10.00 H new ATOM 0 HG2 MET B 1 22.071 -0.444 7.111 1.00 10.00 H new ATOM 0 HG3 MET B 1 23.127 -1.571 6.282 1.00 10.00 H new ATOM 0 HE1 MET B 1 20.365 -1.591 3.659 1.00 10.00 H new ATOM 0 HE2 MET B 1 21.146 -0.242 4.519 1.00 10.00 H new ATOM 0 HE3 MET B 1 22.110 -1.646 4.002 1.00 10.00 H new ATOM 531 N GLN B 2 25.686 -2.805 8.194 1.00 10.00 N ATOM 532 CA GLN B 2 26.850 -2.929 7.319 1.00 10.00 C ATOM 533 C GLN B 2 26.473 -3.725 6.066 1.00 10.00 C ATOM 534 O GLN B 2 25.627 -4.613 6.092 1.00 10.00 O ATOM 535 CB GLN B 2 28.012 -3.586 8.060 1.00 10.00 C ATOM 536 CG GLN B 2 27.902 -5.115 8.173 1.00 10.00 C ATOM 537 CD GLN B 2 29.108 -5.760 8.857 1.00 10.00 C ATOM 538 OE1 GLN B 2 30.230 -5.079 8.860 1.00 10.00 O flip ATOM 539 NE2 GLN B 2 29.048 -6.876 9.342 1.00 10.00 N flip ATOM 0 H GLN B 2 25.514 -3.598 8.812 1.00 10.00 H new ATOM 0 HA GLN B 2 27.174 -1.934 7.013 1.00 10.00 H new ATOM 0 HB2 GLN B 2 28.942 -3.336 7.549 1.00 10.00 H new ATOM 0 HB3 GLN B 2 28.075 -3.162 9.062 1.00 10.00 H new ATOM 0 HG2 GLN B 2 27.000 -5.367 8.730 1.00 10.00 H new ATOM 0 HG3 GLN B 2 27.790 -5.539 7.175 1.00 10.00 H new ATOM 0 HE21 GLN B 2 28.167 -7.390 9.331 1.00 10.00 H new ATOM 0 HE22 GLN B 2 29.878 -7.296 9.760 1.00 10.00 H new ATOM 548 N ILE B 3 27.115 -3.320 4.974 1.00 10.00 N ATOM 549 CA ILE B 3 27.027 -4.064 3.713 1.00 10.00 C ATOM 550 C ILE B 3 28.454 -4.137 3.142 1.00 10.00 C ATOM 551 O ILE B 3 29.304 -3.312 3.461 1.00 10.00 O ATOM 552 CB ILE B 3 25.996 -3.486 2.707 1.00 10.00 C ATOM 553 CG1 ILE B 3 26.491 -2.311 1.847 1.00 10.00 C ATOM 554 CG2 ILE B 3 24.630 -3.200 3.356 1.00 10.00 C ATOM 555 CD1 ILE B 3 26.843 -1.027 2.593 1.00 10.00 C ATOM 0 H ILE B 3 27.700 -2.486 4.932 1.00 10.00 H new ATOM 0 HA ILE B 3 26.639 -5.064 3.905 1.00 10.00 H new ATOM 0 HB ILE B 3 25.858 -4.296 1.991 1.00 10.00 H new ATOM 0 HG12 ILE B 3 27.372 -2.638 1.295 1.00 10.00 H new ATOM 0 HG13 ILE B 3 25.722 -2.079 1.110 1.00 10.00 H new ATOM 0 HG21 ILE B 3 23.948 -2.797 2.607 1.00 10.00 H new ATOM 0 HG22 ILE B 3 24.219 -4.125 3.761 1.00 10.00 H new ATOM 0 HG23 ILE B 3 24.754 -2.475 4.160 1.00 10.00 H new ATOM 0 HD11 ILE B 3 27.179 -0.273 1.881 1.00 10.00 H new ATOM 0 HD12 ILE B 3 25.963 -0.661 3.122 1.00 10.00 H new ATOM 0 HD13 ILE B 3 27.639 -1.229 3.310 1.00 10.00 H new ATOM 567 N PHE B 4 28.644 -5.104 2.251 1.00 10.00 N ATOM 568 CA PHE B 4 29.974 -5.347 1.671 1.00 10.00 C ATOM 569 C PHE B 4 29.963 -4.996 0.182 1.00 10.00 C ATOM 570 O PHE B 4 28.962 -5.163 -0.501 1.00 10.00 O ATOM 571 CB PHE B 4 30.349 -6.817 1.873 1.00 10.00 C ATOM 572 CG PHE B 4 30.148 -7.248 3.328 1.00 10.00 C ATOM 573 CD1 PHE B 4 31.056 -6.860 4.307 1.00 10.00 C ATOM 574 CD2 PHE B 4 29.016 -7.975 3.673 1.00 10.00 C ATOM 575 CE1 PHE B 4 30.829 -7.212 5.630 1.00 10.00 C ATOM 576 CE2 PHE B 4 28.796 -8.331 4.995 1.00 10.00 C ATOM 577 CZ PHE B 4 29.703 -7.951 5.976 1.00 10.00 C ATOM 0 H PHE B 4 27.911 -5.728 1.914 1.00 10.00 H new ATOM 0 HA PHE B 4 30.714 -4.719 2.167 1.00 10.00 H new ATOM 0 HB2 PHE B 4 29.741 -7.443 1.219 1.00 10.00 H new ATOM 0 HB3 PHE B 4 31.389 -6.972 1.586 1.00 10.00 H new ATOM 0 HD1 PHE B 4 31.932 -6.288 4.039 1.00 10.00 H new ATOM 0 HD2 PHE B 4 28.307 -8.263 2.911 1.00 10.00 H new ATOM 0 HE1 PHE B 4 31.530 -6.911 6.394 1.00 10.00 H new ATOM 0 HE2 PHE B 4 27.920 -8.903 5.262 1.00 10.00 H new ATOM 0 HZ PHE B 4 29.534 -8.229 7.006 1.00 10.00 H new ATOM 587 N VAL B 5 31.050 -4.367 -0.247 1.00 10.00 N ATOM 588 CA VAL B 5 31.254 -3.989 -1.655 1.00 10.00 C ATOM 589 C VAL B 5 32.546 -4.659 -2.128 1.00 10.00 C ATOM 590 O VAL B 5 33.643 -4.277 -1.748 1.00 10.00 O ATOM 591 CB VAL B 5 31.321 -2.457 -1.835 1.00 10.00 C ATOM 592 CG1 VAL B 5 31.557 -2.070 -3.299 1.00 10.00 C ATOM 593 CG2 VAL B 5 30.031 -1.781 -1.360 1.00 10.00 C ATOM 0 H VAL B 5 31.821 -4.101 0.366 1.00 10.00 H new ATOM 0 HA VAL B 5 30.408 -4.325 -2.254 1.00 10.00 H new ATOM 0 HB VAL B 5 32.160 -2.115 -1.229 1.00 10.00 H new ATOM 0 HG11 VAL B 5 31.598 -0.984 -3.386 1.00 10.00 H new ATOM 0 HG12 VAL B 5 32.500 -2.498 -3.641 1.00 10.00 H new ATOM 0 HG13 VAL B 5 30.741 -2.453 -3.913 1.00 10.00 H new ATOM 0 HG21 VAL B 5 30.112 -0.703 -1.501 1.00 10.00 H new ATOM 0 HG22 VAL B 5 29.188 -2.160 -1.937 1.00 10.00 H new ATOM 0 HG23 VAL B 5 29.874 -1.998 -0.303 1.00 10.00 H new ATOM 603 N LYS B 6 32.346 -5.756 -2.855 1.00 10.00 N ATOM 604 CA LYS B 6 33.461 -6.503 -3.439 1.00 10.00 C ATOM 605 C LYS B 6 33.978 -5.792 -4.690 1.00 10.00 C ATOM 606 O LYS B 6 33.232 -5.388 -5.573 1.00 10.00 O ATOM 607 CB LYS B 6 32.965 -7.880 -3.858 1.00 10.00 C ATOM 608 CG LYS B 6 32.572 -8.773 -2.678 1.00 10.00 C ATOM 609 CD LYS B 6 31.993 -10.092 -3.198 1.00 10.00 C ATOM 610 CE LYS B 6 33.002 -10.846 -4.075 1.00 10.00 C ATOM 611 NZ LYS B 6 32.359 -11.942 -4.806 1.00 10.00 N ATOM 0 H LYS B 6 31.426 -6.148 -3.054 1.00 10.00 H new ATOM 0 HA LYS B 6 34.259 -6.578 -2.700 1.00 10.00 H new ATOM 0 HB2 LYS B 6 32.105 -7.763 -4.517 1.00 10.00 H new ATOM 0 HB3 LYS B 6 33.744 -8.377 -4.436 1.00 10.00 H new ATOM 0 HG2 LYS B 6 33.443 -8.969 -2.052 1.00 10.00 H new ATOM 0 HG3 LYS B 6 31.838 -8.264 -2.053 1.00 10.00 H new ATOM 0 HD2 LYS B 6 31.702 -10.719 -2.355 1.00 10.00 H new ATOM 0 HD3 LYS B 6 31.089 -9.891 -3.773 1.00 10.00 H new ATOM 0 HE2 LYS B 6 33.461 -10.154 -4.782 1.00 10.00 H new ATOM 0 HE3 LYS B 6 33.803 -11.243 -3.452 1.00 10.00 H new ATOM 0 HZ1 LYS B 6 33.088 -12.554 -5.226 1.00 10.00 H new ATOM 0 HZ2 LYS B 6 31.774 -12.499 -4.152 1.00 10.00 H new ATOM 0 HZ3 LYS B 6 31.759 -11.551 -5.560 1.00 10.00 H new ATOM 625 N THR B 7 35.310 -5.690 -4.737 1.00 10.00 N ATOM 626 CA THR B 7 35.986 -5.178 -5.935 1.00 10.00 C ATOM 627 C THR B 7 36.584 -6.382 -6.673 1.00 10.00 C ATOM 628 O THR B 7 36.749 -7.469 -6.122 1.00 10.00 O ATOM 629 CB THR B 7 37.082 -4.155 -5.585 1.00 10.00 C ATOM 630 OG1 THR B 7 38.148 -4.836 -4.940 1.00 10.00 O ATOM 631 CG2 THR B 7 36.574 -3.027 -4.680 1.00 10.00 C ATOM 0 H THR B 7 35.934 -5.950 -3.973 1.00 10.00 H new ATOM 0 HA THR B 7 35.268 -4.652 -6.565 1.00 10.00 H new ATOM 0 HB THR B 7 37.414 -3.691 -6.514 1.00 10.00 H new ATOM 0 HG1 THR B 7 38.923 -4.872 -5.539 1.00 10.00 H new ATOM 0 HG21 THR B 7 37.390 -2.336 -4.467 1.00 10.00 H new ATOM 0 HG22 THR B 7 35.768 -2.492 -5.183 1.00 10.00 H new ATOM 0 HG23 THR B 7 36.202 -3.449 -3.746 1.00 10.00 H new ATOM 639 N LEU B 8 36.976 -6.143 -7.920 1.00 10.00 N ATOM 640 CA LEU B 8 37.450 -7.220 -8.805 1.00 10.00 C ATOM 641 C LEU B 8 38.889 -7.680 -8.531 1.00 10.00 C ATOM 642 O LEU B 8 39.311 -8.740 -8.987 1.00 10.00 O ATOM 643 CB LEU B 8 37.208 -6.827 -10.265 1.00 10.00 C ATOM 644 CG LEU B 8 35.738 -6.439 -10.503 1.00 10.00 C ATOM 645 CD1 LEU B 8 35.528 -6.074 -11.970 1.00 10.00 C ATOM 646 CD2 LEU B 8 34.742 -7.525 -10.069 1.00 10.00 C ATOM 0 H LEU B 8 36.978 -5.217 -8.347 1.00 10.00 H new ATOM 0 HA LEU B 8 36.860 -8.109 -8.581 1.00 10.00 H new ATOM 0 HB2 LEU B 8 37.855 -5.991 -10.531 1.00 10.00 H new ATOM 0 HB3 LEU B 8 37.477 -7.658 -10.917 1.00 10.00 H new ATOM 0 HG LEU B 8 35.534 -5.573 -9.873 1.00 10.00 H new ATOM 0 HD11 LEU B 8 34.485 -5.800 -12.131 1.00 10.00 H new ATOM 0 HD12 LEU B 8 36.169 -5.232 -12.231 1.00 10.00 H new ATOM 0 HD13 LEU B 8 35.780 -6.929 -12.597 1.00 10.00 H new ATOM 0 HD21 LEU B 8 33.725 -7.185 -10.265 1.00 10.00 H new ATOM 0 HD22 LEU B 8 34.934 -8.440 -10.630 1.00 10.00 H new ATOM 0 HD23 LEU B 8 34.860 -7.722 -9.003 1.00 10.00 H new ATOM 658 N THR B 9 39.615 -6.848 -7.795 1.00 10.00 N ATOM 659 CA THR B 9 40.916 -7.230 -7.204 1.00 10.00 C ATOM 660 C THR B 9 40.741 -8.398 -6.220 1.00 10.00 C ATOM 661 O THR B 9 41.609 -9.265 -6.130 1.00 10.00 O ATOM 662 CB THR B 9 41.581 -6.052 -6.481 1.00 10.00 C ATOM 663 OG1 THR B 9 40.668 -5.443 -5.564 1.00 10.00 O ATOM 664 CG2 THR B 9 42.119 -5.018 -7.474 1.00 10.00 C ATOM 0 H THR B 9 39.331 -5.891 -7.585 1.00 10.00 H new ATOM 0 HA THR B 9 41.562 -7.538 -8.026 1.00 10.00 H new ATOM 0 HB THR B 9 42.428 -6.444 -5.918 1.00 10.00 H new ATOM 0 HG1 THR B 9 41.110 -4.695 -5.111 1.00 10.00 H new ATOM 0 HG21 THR B 9 42.584 -4.197 -6.928 1.00 10.00 H new ATOM 0 HG22 THR B 9 42.859 -5.487 -8.123 1.00 10.00 H new ATOM 0 HG23 THR B 9 41.298 -4.633 -8.079 1.00 10.00 H new ATOM 672 N GLY B 10 39.590 -8.405 -5.538 1.00 10.00 N ATOM 673 CA GLY B 10 39.247 -9.435 -4.543 1.00 10.00 C ATOM 674 C GLY B 10 38.967 -8.821 -3.166 1.00 10.00 C ATOM 675 O GLY B 10 38.281 -9.431 -2.344 1.00 10.00 O ATOM 0 H GLY B 10 38.867 -7.696 -5.659 1.00 10.00 H new ATOM 0 HA2 GLY B 10 38.371 -9.989 -4.880 1.00 10.00 H new ATOM 0 HA3 GLY B 10 40.065 -10.151 -4.463 1.00 10.00 H new ATOM 679 N LYS B 11 39.531 -7.643 -2.924 1.00 10.00 N ATOM 680 CA LYS B 11 39.311 -6.899 -1.664 1.00 10.00 C ATOM 681 C LYS B 11 37.810 -6.589 -1.504 1.00 10.00 C ATOM 682 O LYS B 11 37.082 -6.384 -2.474 1.00 10.00 O ATOM 683 CB LYS B 11 40.117 -5.598 -1.673 1.00 10.00 C ATOM 684 CG LYS B 11 40.279 -5.047 -0.248 1.00 10.00 C ATOM 685 CD LYS B 11 39.990 -3.545 -0.155 1.00 10.00 C ATOM 686 CE LYS B 11 41.027 -2.661 -0.855 1.00 10.00 C ATOM 687 NZ LYS B 11 42.308 -2.638 -0.133 1.00 10.00 N ATOM 0 H LYS B 11 40.150 -7.170 -3.582 1.00 10.00 H new ATOM 0 HA LYS B 11 39.644 -7.510 -0.825 1.00 10.00 H new ATOM 0 HB2 LYS B 11 41.098 -5.776 -2.113 1.00 10.00 H new ATOM 0 HB3 LYS B 11 39.616 -4.859 -2.299 1.00 10.00 H new ATOM 0 HG2 LYS B 11 39.608 -5.584 0.422 1.00 10.00 H new ATOM 0 HG3 LYS B 11 41.295 -5.239 0.097 1.00 10.00 H new ATOM 0 HD2 LYS B 11 39.009 -3.348 -0.588 1.00 10.00 H new ATOM 0 HD3 LYS B 11 39.937 -3.261 0.896 1.00 10.00 H new ATOM 0 HE2 LYS B 11 41.189 -3.026 -1.869 1.00 10.00 H new ATOM 0 HE3 LYS B 11 40.640 -1.646 -0.939 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 42.976 -2.015 -0.631 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 42.156 -2.282 0.832 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 42.699 -3.601 -0.089 1.00 10.00 H new ATOM 701 N THR B 12 37.396 -6.545 -0.241 1.00 10.00 N ATOM 702 CA THR B 12 36.001 -6.238 0.128 1.00 10.00 C ATOM 703 C THR B 12 35.993 -5.004 1.031 1.00 10.00 C ATOM 704 O THR B 12 36.633 -4.969 2.071 1.00 10.00 O ATOM 705 CB THR B 12 35.368 -7.441 0.849 1.00 10.00 C ATOM 706 OG1 THR B 12 35.350 -8.556 -0.044 1.00 10.00 O ATOM 707 CG2 THR B 12 33.942 -7.172 1.342 1.00 10.00 C ATOM 0 H THR B 12 38.007 -6.719 0.557 1.00 10.00 H new ATOM 0 HA THR B 12 35.415 -6.035 -0.768 1.00 10.00 H new ATOM 0 HB THR B 12 35.976 -7.643 1.731 1.00 10.00 H new ATOM 0 HG1 THR B 12 34.950 -9.329 0.406 1.00 10.00 H new ATOM 0 HG21 THR B 12 33.556 -8.061 1.841 1.00 10.00 H new ATOM 0 HG22 THR B 12 33.951 -6.337 2.043 1.00 10.00 H new ATOM 0 HG23 THR B 12 33.304 -6.926 0.493 1.00 10.00 H new ATOM 715 N ILE B 13 35.141 -4.058 0.636 1.00 10.00 N ATOM 716 CA ILE B 13 34.918 -2.829 1.416 1.00 10.00 C ATOM 717 C ILE B 13 33.706 -3.092 2.320 1.00 10.00 C ATOM 718 O ILE B 13 32.671 -3.554 1.859 1.00 10.00 O ATOM 719 CB ILE B 13 34.589 -1.624 0.505 1.00 10.00 C ATOM 720 CG1 ILE B 13 35.284 -1.633 -0.870 1.00 10.00 C ATOM 721 CG2 ILE B 13 34.858 -0.307 1.248 1.00 10.00 C ATOM 722 CD1 ILE B 13 36.811 -1.770 -0.852 1.00 10.00 C ATOM 0 H ILE B 13 34.590 -4.115 -0.221 1.00 10.00 H new ATOM 0 HA ILE B 13 35.821 -2.589 1.978 1.00 10.00 H new ATOM 0 HB ILE B 13 33.527 -1.715 0.276 1.00 10.00 H new ATOM 0 HG12 ILE B 13 34.873 -2.454 -1.457 1.00 10.00 H new ATOM 0 HG13 ILE B 13 35.028 -0.710 -1.390 1.00 10.00 H new ATOM 0 HG21 ILE B 13 34.622 0.534 0.595 1.00 10.00 H new ATOM 0 HG22 ILE B 13 34.235 -0.259 2.141 1.00 10.00 H new ATOM 0 HG23 ILE B 13 35.908 -0.260 1.536 1.00 10.00 H new ATOM 0 HD11 ILE B 13 37.189 -1.764 -1.874 1.00 10.00 H new ATOM 0 HD12 ILE B 13 37.245 -0.936 -0.300 1.00 10.00 H new ATOM 0 HD13 ILE B 13 37.087 -2.707 -0.369 1.00 10.00 H new ATOM 734 N THR B 14 33.870 -2.763 3.599 1.00 10.00 N ATOM 735 CA THR B 14 32.739 -2.788 4.543 1.00 10.00 C ATOM 736 C THR B 14 32.292 -1.342 4.763 1.00 10.00 C ATOM 737 O THR B 14 33.095 -0.468 5.072 1.00 10.00 O ATOM 738 CB THR B 14 33.143 -3.435 5.876 1.00 10.00 C ATOM 739 OG1 THR B 14 33.573 -4.777 5.640 1.00 10.00 O ATOM 740 CG2 THR B 14 31.988 -3.447 6.881 1.00 10.00 C ATOM 0 H THR B 14 34.760 -2.479 4.008 1.00 10.00 H new ATOM 0 HA THR B 14 31.924 -3.385 4.134 1.00 10.00 H new ATOM 0 HB THR B 14 33.952 -2.841 6.301 1.00 10.00 H new ATOM 0 HG1 THR B 14 32.791 -5.356 5.524 1.00 10.00 H new ATOM 0 HG21 THR B 14 32.318 -3.913 7.809 1.00 10.00 H new ATOM 0 HG22 THR B 14 31.670 -2.424 7.082 1.00 10.00 H new ATOM 0 HG23 THR B 14 31.152 -4.012 6.468 1.00 10.00 H new ATOM 748 N LEU B 15 30.982 -1.152 4.633 1.00 10.00 N ATOM 749 CA LEU B 15 30.366 0.167 4.851 1.00 10.00 C ATOM 750 C LEU B 15 29.257 0.101 5.905 1.00 10.00 C ATOM 751 O LEU B 15 28.533 -0.883 5.991 1.00 10.00 O ATOM 752 CB LEU B 15 29.783 0.693 3.535 1.00 10.00 C ATOM 753 CG LEU B 15 30.823 0.863 2.422 1.00 10.00 C ATOM 754 CD1 LEU B 15 30.106 1.182 1.112 1.00 10.00 C ATOM 755 CD2 LEU B 15 31.813 1.984 2.755 1.00 10.00 C ATOM 0 H LEU B 15 30.323 -1.888 4.379 1.00 10.00 H new ATOM 0 HA LEU B 15 31.143 0.842 5.212 1.00 10.00 H new ATOM 0 HB2 LEU B 15 29.007 0.008 3.193 1.00 10.00 H new ATOM 0 HB3 LEU B 15 29.302 1.653 3.720 1.00 10.00 H new ATOM 0 HG LEU B 15 31.385 -0.066 2.326 1.00 10.00 H new ATOM 0 HD11 LEU B 15 30.840 1.304 0.316 1.00 10.00 H new ATOM 0 HD12 LEU B 15 29.429 0.366 0.859 1.00 10.00 H new ATOM 0 HD13 LEU B 15 29.536 2.104 1.224 1.00 10.00 H new ATOM 0 HD21 LEU B 15 32.538 2.081 1.947 1.00 10.00 H new ATOM 0 HD22 LEU B 15 31.273 2.923 2.872 1.00 10.00 H new ATOM 0 HD23 LEU B 15 32.333 1.746 3.683 1.00 10.00 H new ATOM 767 N GLU B 16 29.183 1.179 6.684 1.00 10.00 N ATOM 768 CA GLU B 16 28.082 1.420 7.634 1.00 10.00 C ATOM 769 C GLU B 16 27.105 2.401 6.981 1.00 10.00 C ATOM 770 O GLU B 16 27.426 3.555 6.738 1.00 10.00 O ATOM 771 CB GLU B 16 28.644 2.012 8.933 1.00 10.00 C ATOM 772 CG GLU B 16 27.551 2.339 9.961 1.00 10.00 C ATOM 773 CD GLU B 16 26.727 1.116 10.376 1.00 10.00 C ATOM 774 OE1 GLU B 16 27.327 0.035 10.563 1.00 10.00 O ATOM 775 OE2 GLU B 16 25.498 1.295 10.511 1.00 10.00 O ATOM 0 H GLU B 16 29.886 1.918 6.679 1.00 10.00 H new ATOM 0 HA GLU B 16 27.570 0.489 7.876 1.00 10.00 H new ATOM 0 HB2 GLU B 16 29.350 1.307 9.372 1.00 10.00 H new ATOM 0 HB3 GLU B 16 29.202 2.919 8.702 1.00 10.00 H new ATOM 0 HG2 GLU B 16 28.013 2.775 10.847 1.00 10.00 H new ATOM 0 HG3 GLU B 16 26.884 3.094 9.545 1.00 10.00 H new ATOM 782 N VAL B 17 25.931 1.858 6.641 1.00 10.00 N ATOM 783 CA VAL B 17 24.913 2.612 5.897 1.00 10.00 C ATOM 784 C VAL B 17 23.523 2.495 6.549 1.00 10.00 C ATOM 785 O VAL B 17 23.294 1.756 7.495 1.00 10.00 O ATOM 786 CB VAL B 17 24.860 2.141 4.428 1.00 10.00 C ATOM 787 CG1 VAL B 17 26.195 2.341 3.703 1.00 10.00 C ATOM 788 CG2 VAL B 17 24.373 0.693 4.313 1.00 10.00 C ATOM 0 H VAL B 17 25.661 0.901 6.868 1.00 10.00 H new ATOM 0 HA VAL B 17 25.200 3.663 5.923 1.00 10.00 H new ATOM 0 HB VAL B 17 24.129 2.775 3.926 1.00 10.00 H new ATOM 0 HG11 VAL B 17 26.105 1.994 2.674 1.00 10.00 H new ATOM 0 HG12 VAL B 17 26.457 3.399 3.708 1.00 10.00 H new ATOM 0 HG13 VAL B 17 26.974 1.772 4.211 1.00 10.00 H new ATOM 0 HG21 VAL B 17 24.350 0.399 3.264 1.00 10.00 H new ATOM 0 HG22 VAL B 17 25.051 0.037 4.859 1.00 10.00 H new ATOM 0 HG23 VAL B 17 23.371 0.611 4.735 1.00 10.00 H new ATOM 798 N GLU B 18 22.596 3.219 5.942 1.00 10.00 N ATOM 799 CA GLU B 18 21.154 3.125 6.205 1.00 10.00 C ATOM 800 C GLU B 18 20.452 2.778 4.889 1.00 10.00 C ATOM 801 O GLU B 18 20.881 3.223 3.830 1.00 10.00 O ATOM 802 CB GLU B 18 20.647 4.474 6.732 1.00 10.00 C ATOM 803 CG GLU B 18 21.279 4.859 8.078 1.00 10.00 C ATOM 804 CD GLU B 18 21.066 3.827 9.198 1.00 10.00 C ATOM 805 OE1 GLU B 18 20.074 3.066 9.115 1.00 10.00 O ATOM 806 OE2 GLU B 18 21.898 3.834 10.129 1.00 10.00 O ATOM 0 H GLU B 18 22.825 3.912 5.229 1.00 10.00 H new ATOM 0 HA GLU B 18 20.947 2.357 6.950 1.00 10.00 H new ATOM 0 HB2 GLU B 18 20.863 5.251 5.998 1.00 10.00 H new ATOM 0 HB3 GLU B 18 19.563 4.432 6.843 1.00 10.00 H new ATOM 0 HG2 GLU B 18 22.350 5.005 7.934 1.00 10.00 H new ATOM 0 HG3 GLU B 18 20.867 5.816 8.399 1.00 10.00 H new ATOM 813 N SER B 19 19.293 2.115 4.994 1.00 10.00 N ATOM 814 CA SER B 19 18.462 1.794 3.810 1.00 10.00 C ATOM 815 C SER B 19 17.978 3.051 3.070 1.00 10.00 C ATOM 816 O SER B 19 17.800 3.045 1.853 1.00 10.00 O ATOM 817 CB SER B 19 17.232 0.975 4.199 1.00 10.00 C ATOM 818 OG SER B 19 17.636 -0.203 4.897 1.00 10.00 O ATOM 0 H SER B 19 18.905 1.789 5.879 1.00 10.00 H new ATOM 0 HA SER B 19 19.108 1.217 3.148 1.00 10.00 H new ATOM 0 HB2 SER B 19 16.570 1.572 4.827 1.00 10.00 H new ATOM 0 HB3 SER B 19 16.667 0.704 3.307 1.00 10.00 H new ATOM 0 HG SER B 19 16.844 -0.724 5.146 1.00 10.00 H new ATOM 824 N SER B 20 17.845 4.134 3.837 1.00 10.00 N ATOM 825 CA SER B 20 17.462 5.466 3.330 1.00 10.00 C ATOM 826 C SER B 20 18.546 6.184 2.510 1.00 10.00 C ATOM 827 O SER B 20 18.247 7.169 1.835 1.00 10.00 O ATOM 828 CB SER B 20 17.002 6.361 4.484 1.00 10.00 C ATOM 829 OG SER B 20 17.987 6.382 5.525 1.00 10.00 O ATOM 0 H SER B 20 18.001 4.117 4.845 1.00 10.00 H new ATOM 0 HA SER B 20 16.643 5.282 2.635 1.00 10.00 H new ATOM 0 HB2 SER B 20 16.827 7.373 4.120 1.00 10.00 H new ATOM 0 HB3 SER B 20 16.054 5.996 4.879 1.00 10.00 H new ATOM 0 HG SER B 20 17.680 6.959 6.255 1.00 10.00 H new ATOM 835 N ASP B 21 19.775 5.674 2.533 1.00 10.00 N ATOM 836 CA ASP B 21 20.878 6.273 1.753 1.00 10.00 C ATOM 837 C ASP B 21 20.615 6.168 0.253 1.00 10.00 C ATOM 838 O ASP B 21 20.252 5.117 -0.263 1.00 10.00 O ATOM 839 CB ASP B 21 22.218 5.609 2.076 1.00 10.00 C ATOM 840 CG ASP B 21 22.707 5.932 3.492 1.00 10.00 C ATOM 841 OD1 ASP B 21 22.268 6.954 4.062 1.00 10.00 O ATOM 842 OD2 ASP B 21 23.592 5.185 3.951 1.00 10.00 O ATOM 0 H ASP B 21 20.041 4.853 3.077 1.00 10.00 H new ATOM 0 HA ASP B 21 20.928 7.325 2.035 1.00 10.00 H new ATOM 0 HB2 ASP B 21 22.120 4.529 1.966 1.00 10.00 H new ATOM 0 HB3 ASP B 21 22.966 5.936 1.353 1.00 10.00 H new ATOM 847 N THR B 22 20.794 7.318 -0.400 1.00 10.00 N ATOM 848 CA THR B 22 20.727 7.395 -1.869 1.00 10.00 C ATOM 849 C THR B 22 21.958 6.671 -2.440 1.00 10.00 C ATOM 850 O THR B 22 23.005 6.599 -1.811 1.00 10.00 O ATOM 851 CB THR B 22 20.699 8.850 -2.369 1.00 10.00 C ATOM 852 OG1 THR B 22 21.945 9.494 -2.079 1.00 10.00 O ATOM 853 CG2 THR B 22 19.522 9.635 -1.779 1.00 10.00 C ATOM 0 H THR B 22 20.986 8.208 0.059 1.00 10.00 H new ATOM 0 HA THR B 22 19.804 6.924 -2.205 1.00 10.00 H new ATOM 0 HB THR B 22 20.557 8.831 -3.449 1.00 10.00 H new ATOM 0 HG1 THR B 22 21.918 10.419 -2.402 1.00 10.00 H new ATOM 0 HG21 THR B 22 19.540 10.657 -2.158 1.00 10.00 H new ATOM 0 HG22 THR B 22 18.585 9.158 -2.067 1.00 10.00 H new ATOM 0 HG23 THR B 22 19.603 9.650 -0.692 1.00 10.00 H new ATOM 861 N ILE B 23 21.810 6.169 -3.669 1.00 10.00 N ATOM 862 CA ILE B 23 22.929 5.510 -4.378 1.00 10.00 C ATOM 863 C ILE B 23 24.120 6.465 -4.552 1.00 10.00 C ATOM 864 O ILE B 23 25.265 6.096 -4.285 1.00 10.00 O ATOM 865 CB ILE B 23 22.443 4.955 -5.733 1.00 10.00 C ATOM 866 CG1 ILE B 23 21.334 3.910 -5.535 1.00 10.00 C ATOM 867 CG2 ILE B 23 23.576 4.416 -6.619 1.00 10.00 C ATOM 868 CD1 ILE B 23 21.700 2.716 -4.641 1.00 10.00 C ATOM 0 H ILE B 23 20.938 6.202 -4.196 1.00 10.00 H new ATOM 0 HA ILE B 23 23.279 4.674 -3.772 1.00 10.00 H new ATOM 0 HB ILE B 23 22.025 5.803 -6.276 1.00 10.00 H new ATOM 0 HG12 ILE B 23 20.463 4.407 -5.108 1.00 10.00 H new ATOM 0 HG13 ILE B 23 21.037 3.531 -6.513 1.00 10.00 H new ATOM 0 HG21 ILE B 23 23.160 4.043 -7.555 1.00 10.00 H new ATOM 0 HG22 ILE B 23 24.284 5.217 -6.831 1.00 10.00 H new ATOM 0 HG23 ILE B 23 24.089 3.606 -6.101 1.00 10.00 H new ATOM 0 HD11 ILE B 23 20.847 2.041 -4.569 1.00 10.00 H new ATOM 0 HD12 ILE B 23 22.548 2.185 -5.073 1.00 10.00 H new ATOM 0 HD13 ILE B 23 21.965 3.074 -3.646 1.00 10.00 H new ATOM 880 N ASP B 24 23.794 7.717 -4.855 1.00 10.00 N ATOM 881 CA ASP B 24 24.798 8.792 -4.967 1.00 10.00 C ATOM 882 C ASP B 24 25.589 8.959 -3.657 1.00 10.00 C ATOM 883 O ASP B 24 26.810 9.096 -3.676 1.00 10.00 O ATOM 884 CB ASP B 24 24.096 10.102 -5.342 1.00 10.00 C ATOM 885 CG ASP B 24 25.094 11.257 -5.468 1.00 10.00 C ATOM 886 OD1 ASP B 24 25.968 11.157 -6.352 1.00 10.00 O ATOM 887 OD2 ASP B 24 24.955 12.190 -4.652 1.00 10.00 O ATOM 0 H ASP B 24 22.837 8.023 -5.030 1.00 10.00 H new ATOM 0 HA ASP B 24 25.512 8.524 -5.746 1.00 10.00 H new ATOM 0 HB2 ASP B 24 23.565 9.974 -6.285 1.00 10.00 H new ATOM 0 HB3 ASP B 24 23.350 10.345 -4.586 1.00 10.00 H new ATOM 892 N ASN B 25 24.866 8.870 -2.540 1.00 10.00 N ATOM 893 CA ASN B 25 25.450 8.947 -1.191 1.00 10.00 C ATOM 894 C ASN B 25 26.406 7.775 -0.908 1.00 10.00 C ATOM 895 O ASN B 25 27.480 7.970 -0.347 1.00 10.00 O ATOM 896 CB ASN B 25 24.312 8.975 -0.171 1.00 10.00 C ATOM 897 CG ASN B 25 24.807 8.974 1.267 1.00 10.00 C ATOM 898 OD1 ASN B 25 24.320 8.022 2.015 1.00 10.00 O flip ATOM 899 ND2 ASN B 25 25.619 9.782 1.699 1.00 10.00 N flip ATOM 0 H ASN B 25 23.854 8.742 -2.540 1.00 10.00 H new ATOM 0 HA ASN B 25 26.045 9.857 -1.116 1.00 10.00 H new ATOM 0 HB2 ASN B 25 23.702 9.862 -0.339 1.00 10.00 H new ATOM 0 HB3 ASN B 25 23.668 8.110 -0.329 1.00 10.00 H new ATOM 0 HD21 ASN B 25 25.982 10.515 1.090 1.00 10.00 H new ATOM 0 HD22 ASN B 25 25.933 9.722 2.668 1.00 10.00 H new ATOM 906 N VAL B 26 26.030 6.583 -1.375 1.00 10.00 N ATOM 907 CA VAL B 26 26.875 5.373 -1.272 1.00 10.00 C ATOM 908 C VAL B 26 28.174 5.553 -2.068 1.00 10.00 C ATOM 909 O VAL B 26 29.262 5.310 -1.552 1.00 10.00 O ATOM 910 CB VAL B 26 26.102 4.124 -1.742 1.00 10.00 C ATOM 911 CG1 VAL B 26 26.983 2.870 -1.842 1.00 10.00 C ATOM 912 CG2 VAL B 26 24.959 3.818 -0.773 1.00 10.00 C ATOM 0 H VAL B 26 25.135 6.420 -1.836 1.00 10.00 H new ATOM 0 HA VAL B 26 27.140 5.226 -0.225 1.00 10.00 H new ATOM 0 HB VAL B 26 25.728 4.360 -2.738 1.00 10.00 H new ATOM 0 HG11 VAL B 26 26.379 2.027 -2.178 1.00 10.00 H new ATOM 0 HG12 VAL B 26 27.788 3.047 -2.555 1.00 10.00 H new ATOM 0 HG13 VAL B 26 27.408 2.645 -0.864 1.00 10.00 H new ATOM 0 HG21 VAL B 26 24.420 2.934 -1.114 1.00 10.00 H new ATOM 0 HG22 VAL B 26 25.365 3.634 0.222 1.00 10.00 H new ATOM 0 HG23 VAL B 26 24.277 4.667 -0.735 1.00 10.00 H new ATOM 922 N LYS B 27 28.042 5.992 -3.318 1.00 10.00 N ATOM 923 CA LYS B 27 29.194 6.215 -4.210 1.00 10.00 C ATOM 924 C LYS B 27 30.191 7.232 -3.629 1.00 10.00 C ATOM 925 O LYS B 27 31.403 7.030 -3.691 1.00 10.00 O ATOM 926 CB LYS B 27 28.720 6.684 -5.586 1.00 10.00 C ATOM 927 CG LYS B 27 27.951 5.578 -6.307 1.00 10.00 C ATOM 928 CD LYS B 27 27.493 6.048 -7.683 1.00 10.00 C ATOM 929 CE LYS B 27 26.783 4.909 -8.415 1.00 10.00 C ATOM 930 NZ LYS B 27 26.293 5.355 -9.725 1.00 10.00 N ATOM 0 H LYS B 27 27.141 6.204 -3.746 1.00 10.00 H new ATOM 0 HA LYS B 27 29.712 5.261 -4.307 1.00 10.00 H new ATOM 0 HB2 LYS B 27 28.083 7.562 -5.475 1.00 10.00 H new ATOM 0 HB3 LYS B 27 29.578 6.986 -6.187 1.00 10.00 H new ATOM 0 HG2 LYS B 27 28.584 4.697 -6.410 1.00 10.00 H new ATOM 0 HG3 LYS B 27 27.087 5.282 -5.712 1.00 10.00 H new ATOM 0 HD2 LYS B 27 26.821 6.900 -7.580 1.00 10.00 H new ATOM 0 HD3 LYS B 27 28.350 6.387 -8.265 1.00 10.00 H new ATOM 0 HE2 LYS B 27 27.468 4.071 -8.544 1.00 10.00 H new ATOM 0 HE3 LYS B 27 25.949 4.549 -7.813 1.00 10.00 H new ATOM 0 HZ1 LYS B 27 25.419 4.843 -9.961 1.00 10.00 H new ATOM 0 HZ2 LYS B 27 26.098 6.376 -9.694 1.00 10.00 H new ATOM 0 HZ3 LYS B 27 27.014 5.162 -10.449 1.00 10.00 H new ATOM 944 N SER B 28 29.637 8.241 -2.951 1.00 10.00 N ATOM 945 CA SER B 28 30.423 9.225 -2.181 1.00 10.00 C ATOM 946 C SER B 28 31.171 8.577 -0.999 1.00 10.00 C ATOM 947 O SER B 28 32.366 8.796 -0.812 1.00 10.00 O ATOM 948 CB SER B 28 29.512 10.340 -1.661 1.00 10.00 C ATOM 949 OG SER B 28 30.315 11.331 -1.020 1.00 10.00 O ATOM 0 H SER B 28 28.631 8.404 -2.917 1.00 10.00 H new ATOM 0 HA SER B 28 31.168 9.641 -2.859 1.00 10.00 H new ATOM 0 HB2 SER B 28 28.951 10.783 -2.484 1.00 10.00 H new ATOM 0 HB3 SER B 28 28.782 9.935 -0.960 1.00 10.00 H new ATOM 0 HG SER B 28 29.741 12.051 -0.685 1.00 10.00 H new ATOM 955 N LYS B 29 30.509 7.619 -0.345 1.00 10.00 N ATOM 956 CA LYS B 29 31.123 6.796 0.720 1.00 10.00 C ATOM 957 C LYS B 29 32.270 5.916 0.188 1.00 10.00 C ATOM 958 O LYS B 29 33.281 5.733 0.861 1.00 10.00 O ATOM 959 CB LYS B 29 30.093 5.885 1.398 1.00 10.00 C ATOM 960 CG LYS B 29 29.031 6.651 2.188 1.00 10.00 C ATOM 961 CD LYS B 29 28.046 5.658 2.808 1.00 10.00 C ATOM 962 CE LYS B 29 26.905 6.341 3.563 1.00 10.00 C ATOM 963 NZ LYS B 29 27.357 7.004 4.796 1.00 10.00 N ATOM 0 H LYS B 29 29.534 7.386 -0.533 1.00 10.00 H new ATOM 0 HA LYS B 29 31.522 7.505 1.445 1.00 10.00 H new ATOM 0 HB2 LYS B 29 29.602 5.276 0.639 1.00 10.00 H new ATOM 0 HB3 LYS B 29 30.611 5.200 2.069 1.00 10.00 H new ATOM 0 HG2 LYS B 29 29.503 7.248 2.969 1.00 10.00 H new ATOM 0 HG3 LYS B 29 28.503 7.343 1.532 1.00 10.00 H new ATOM 0 HD2 LYS B 29 27.629 5.029 2.021 1.00 10.00 H new ATOM 0 HD3 LYS B 29 28.583 5.000 3.491 1.00 10.00 H new ATOM 0 HE2 LYS B 29 26.433 7.077 2.912 1.00 10.00 H new ATOM 0 HE3 LYS B 29 26.145 5.601 3.811 1.00 10.00 H new ATOM 0 HZ1 LYS B 29 26.545 7.450 5.268 1.00 10.00 H new ATOM 0 HZ2 LYS B 29 27.783 6.300 5.432 1.00 10.00 H new ATOM 0 HZ3 LYS B 29 28.063 7.731 4.561 1.00 10.00 H new ATOM 977 N ILE B 30 32.132 5.460 -1.059 1.00 10.00 N ATOM 978 CA ILE B 30 33.182 4.698 -1.776 1.00 10.00 C ATOM 979 C ILE B 30 34.385 5.605 -2.072 1.00 10.00 C ATOM 980 O ILE B 30 35.533 5.206 -1.899 1.00 10.00 O ATOM 981 CB ILE B 30 32.624 4.042 -3.056 1.00 10.00 C ATOM 982 CG1 ILE B 30 31.627 2.941 -2.666 1.00 10.00 C ATOM 983 CG2 ILE B 30 33.735 3.500 -3.981 1.00 10.00 C ATOM 984 CD1 ILE B 30 30.871 2.297 -3.837 1.00 10.00 C ATOM 0 H ILE B 30 31.287 5.605 -1.612 1.00 10.00 H new ATOM 0 HA ILE B 30 33.524 3.887 -1.133 1.00 10.00 H new ATOM 0 HB ILE B 30 32.109 4.809 -3.634 1.00 10.00 H new ATOM 0 HG12 ILE B 30 32.165 2.160 -2.129 1.00 10.00 H new ATOM 0 HG13 ILE B 30 30.899 3.362 -1.972 1.00 10.00 H new ATOM 0 HG21 ILE B 30 33.285 3.050 -4.865 1.00 10.00 H new ATOM 0 HG22 ILE B 30 34.388 4.319 -4.283 1.00 10.00 H new ATOM 0 HG23 ILE B 30 34.318 2.749 -3.448 1.00 10.00 H new ATOM 0 HD11 ILE B 30 30.193 1.533 -3.456 1.00 10.00 H new ATOM 0 HD12 ILE B 30 30.299 3.060 -4.364 1.00 10.00 H new ATOM 0 HD13 ILE B 30 31.584 1.840 -4.523 1.00 10.00 H new ATOM 996 N GLN B 31 34.091 6.815 -2.547 1.00 10.00 N ATOM 997 CA GLN B 31 35.123 7.836 -2.791 1.00 10.00 C ATOM 998 C GLN B 31 35.886 8.162 -1.497 1.00 10.00 C ATOM 999 O GLN B 31 37.111 8.245 -1.514 1.00 10.00 O ATOM 1000 CB GLN B 31 34.450 9.093 -3.338 1.00 10.00 C ATOM 1001 CG GLN B 31 35.479 10.167 -3.700 1.00 10.00 C ATOM 1002 CD GLN B 31 34.817 11.434 -4.231 1.00 10.00 C ATOM 1003 OE1 GLN B 31 33.701 11.811 -3.897 1.00 10.00 O ATOM 1004 NE2 GLN B 31 35.510 12.095 -5.125 1.00 10.00 N ATOM 0 H GLN B 31 33.144 7.118 -2.773 1.00 10.00 H new ATOM 0 HA GLN B 31 35.843 7.455 -3.515 1.00 10.00 H new ATOM 0 HB2 GLN B 31 33.863 8.838 -4.220 1.00 10.00 H new ATOM 0 HB3 GLN B 31 33.756 9.488 -2.596 1.00 10.00 H new ATOM 0 HG2 GLN B 31 36.075 10.410 -2.820 1.00 10.00 H new ATOM 0 HG3 GLN B 31 36.165 9.774 -4.450 1.00 10.00 H new ATOM 0 HE21 GLN B 31 36.439 11.769 -5.394 1.00 10.00 H new ATOM 0 HE22 GLN B 31 35.121 12.935 -5.552 1.00 10.00 H new ATOM 1013 N ASP B 32 35.156 8.151 -0.384 1.00 10.00 N ATOM 1014 CA ASP B 32 35.728 8.372 0.955 1.00 10.00 C ATOM 1015 C ASP B 32 36.670 7.267 1.449 1.00 10.00 C ATOM 1016 O ASP B 32 37.533 7.538 2.283 1.00 10.00 O ATOM 1017 CB ASP B 32 34.620 8.654 1.973 1.00 10.00 C ATOM 1018 CG ASP B 32 34.028 10.058 1.798 1.00 10.00 C ATOM 1019 OD1 ASP B 32 34.796 10.975 1.428 1.00 10.00 O ATOM 1020 OD2 ASP B 32 32.818 10.188 2.081 1.00 10.00 O ATOM 0 H ASP B 32 34.149 7.989 -0.378 1.00 10.00 H new ATOM 0 HA ASP B 32 36.365 9.251 0.855 1.00 10.00 H new ATOM 0 HB2 ASP B 32 33.830 7.911 1.865 1.00 10.00 H new ATOM 0 HB3 ASP B 32 35.019 8.551 2.982 1.00 10.00 H new ATOM 1025 N LYS B 33 36.503 6.052 0.935 1.00 10.00 N ATOM 1026 CA LYS B 33 37.391 4.933 1.297 1.00 10.00 C ATOM 1027 C LYS B 33 38.458 4.599 0.247 1.00 10.00 C ATOM 1028 O LYS B 33 39.608 4.340 0.584 1.00 10.00 O ATOM 1029 CB LYS B 33 36.598 3.662 1.613 1.00 10.00 C ATOM 1030 CG LYS B 33 35.880 3.746 2.964 1.00 10.00 C ATOM 1031 CD LYS B 33 35.552 2.353 3.515 1.00 10.00 C ATOM 1032 CE LYS B 33 36.830 1.591 3.892 1.00 10.00 C ATOM 1033 NZ LYS B 33 36.545 0.260 4.442 1.00 10.00 N ATOM 0 H LYS B 33 35.768 5.810 0.270 1.00 10.00 H new ATOM 0 HA LYS B 33 37.913 5.287 2.186 1.00 10.00 H new ATOM 0 HB2 LYS B 33 35.865 3.488 0.825 1.00 10.00 H new ATOM 0 HB3 LYS B 33 37.273 2.806 1.615 1.00 10.00 H new ATOM 0 HG2 LYS B 33 36.506 4.282 3.677 1.00 10.00 H new ATOM 0 HG3 LYS B 33 34.960 4.320 2.853 1.00 10.00 H new ATOM 0 HD2 LYS B 33 34.910 2.447 4.391 1.00 10.00 H new ATOM 0 HD3 LYS B 33 34.994 1.786 2.770 1.00 10.00 H new ATOM 0 HE2 LYS B 33 37.463 1.489 3.010 1.00 10.00 H new ATOM 0 HE3 LYS B 33 37.393 2.171 4.623 1.00 10.00 H new ATOM 0 HZ1 LYS B 33 37.439 -0.215 4.681 1.00 10.00 H new ATOM 0 HZ2 LYS B 33 35.963 0.356 5.299 1.00 10.00 H new ATOM 0 HZ3 LYS B 33 36.031 -0.305 3.736 1.00 10.00 H new ATOM 1047 N GLU B 34 38.076 4.674 -1.022 1.00 10.00 N ATOM 1048 CA GLU B 34 38.945 4.237 -2.132 1.00 10.00 C ATOM 1049 C GLU B 34 39.592 5.379 -2.918 1.00 10.00 C ATOM 1050 O GLU B 34 40.663 5.197 -3.499 1.00 10.00 O ATOM 1051 CB GLU B 34 38.152 3.323 -3.065 1.00 10.00 C ATOM 1052 CG GLU B 34 37.814 1.985 -2.397 1.00 10.00 C ATOM 1053 CD GLU B 34 39.057 1.178 -1.993 1.00 10.00 C ATOM 1054 OE1 GLU B 34 40.036 1.185 -2.772 1.00 10.00 O ATOM 1055 OE2 GLU B 34 38.967 0.504 -0.944 1.00 10.00 O ATOM 0 H GLU B 34 37.169 5.033 -1.319 1.00 10.00 H new ATOM 0 HA GLU B 34 39.777 3.697 -1.680 1.00 10.00 H new ATOM 0 HB2 GLU B 34 37.231 3.822 -3.367 1.00 10.00 H new ATOM 0 HB3 GLU B 34 38.728 3.141 -3.972 1.00 10.00 H new ATOM 0 HG2 GLU B 34 37.207 2.172 -1.511 1.00 10.00 H new ATOM 0 HG3 GLU B 34 37.208 1.389 -3.079 1.00 10.00 H new ATOM 1062 N GLY B 35 38.886 6.511 -2.988 1.00 10.00 N ATOM 1063 CA GLY B 35 39.330 7.680 -3.770 1.00 10.00 C ATOM 1064 C GLY B 35 38.741 7.693 -5.191 1.00 10.00 C ATOM 1065 O GLY B 35 39.008 8.601 -5.971 1.00 10.00 O ATOM 0 H GLY B 35 37.996 6.648 -2.509 1.00 10.00 H new ATOM 0 HA2 GLY B 35 39.039 8.593 -3.251 1.00 10.00 H new ATOM 0 HA3 GLY B 35 40.418 7.681 -3.831 1.00 10.00 H new ATOM 1069 N ILE B 36 37.900 6.700 -5.476 1.00 10.00 N ATOM 1070 CA ILE B 36 37.229 6.548 -6.784 1.00 10.00 C ATOM 1071 C ILE B 36 36.172 7.656 -6.946 1.00 10.00 C ATOM 1072 O ILE B 36 35.233 7.732 -6.153 1.00 10.00 O ATOM 1073 CB ILE B 36 36.607 5.149 -6.959 1.00 10.00 C ATOM 1074 CG1 ILE B 36 37.672 4.060 -6.747 1.00 10.00 C ATOM 1075 CG2 ILE B 36 35.979 5.014 -8.360 1.00 10.00 C ATOM 1076 CD1 ILE B 36 37.114 2.630 -6.684 1.00 10.00 C ATOM 0 H ILE B 36 37.658 5.969 -4.807 1.00 10.00 H new ATOM 0 HA ILE B 36 37.978 6.649 -7.569 1.00 10.00 H new ATOM 0 HB ILE B 36 35.824 5.022 -6.211 1.00 10.00 H new ATOM 0 HG12 ILE B 36 38.399 4.118 -7.557 1.00 10.00 H new ATOM 0 HG13 ILE B 36 38.208 4.269 -5.821 1.00 10.00 H new ATOM 0 HG21 ILE B 36 35.544 4.021 -8.469 1.00 10.00 H new ATOM 0 HG22 ILE B 36 35.201 5.767 -8.484 1.00 10.00 H new ATOM 0 HG23 ILE B 36 36.748 5.159 -9.119 1.00 10.00 H new ATOM 0 HD11 ILE B 36 37.933 1.926 -6.533 1.00 10.00 H new ATOM 0 HD12 ILE B 36 36.409 2.551 -5.856 1.00 10.00 H new ATOM 0 HD13 ILE B 36 36.603 2.397 -7.618 1.00 10.00 H new ATOM 1088 N PRO B 37 36.271 8.412 -8.053 1.00 10.00 N ATOM 1089 CA PRO B 37 35.267 9.420 -8.430 1.00 10.00 C ATOM 1090 C PRO B 37 33.888 8.757 -8.613 1.00 10.00 C ATOM 1091 O PRO B 37 33.771 7.771 -9.339 1.00 10.00 O ATOM 1092 CB PRO B 37 35.771 9.996 -9.752 1.00 10.00 C ATOM 1093 CG PRO B 37 37.285 9.847 -9.634 1.00 10.00 C ATOM 1094 CD PRO B 37 37.446 8.495 -8.940 1.00 10.00 C ATOM 0 HA PRO B 37 35.145 10.191 -7.669 1.00 10.00 H new ATOM 0 HB2 PRO B 37 35.377 9.448 -10.608 1.00 10.00 H new ATOM 0 HB3 PRO B 37 35.476 11.038 -9.877 1.00 10.00 H new ATOM 0 HG2 PRO B 37 37.769 9.859 -10.611 1.00 10.00 H new ATOM 0 HG3 PRO B 37 37.726 10.655 -9.050 1.00 10.00 H new ATOM 0 HD2 PRO B 37 37.463 7.676 -9.659 1.00 10.00 H new ATOM 0 HD3 PRO B 37 38.377 8.443 -8.376 1.00 10.00 H new ATOM 1102 N PRO B 38 32.852 9.305 -7.951 1.00 10.00 N ATOM 1103 CA PRO B 38 31.466 8.786 -7.995 1.00 10.00 C ATOM 1104 C PRO B 38 30.880 8.681 -9.405 1.00 10.00 C ATOM 1105 O PRO B 38 30.283 7.688 -9.769 1.00 10.00 O ATOM 1106 CB PRO B 38 30.650 9.786 -7.173 1.00 10.00 C ATOM 1107 CG PRO B 38 31.664 10.309 -6.163 1.00 10.00 C ATOM 1108 CD PRO B 38 32.946 10.414 -6.990 1.00 10.00 C ATOM 0 HA PRO B 38 31.444 7.767 -7.609 1.00 10.00 H new ATOM 0 HB2 PRO B 38 30.249 10.587 -7.794 1.00 10.00 H new ATOM 0 HB3 PRO B 38 29.802 9.308 -6.683 1.00 10.00 H new ATOM 0 HG2 PRO B 38 31.366 11.275 -5.755 1.00 10.00 H new ATOM 0 HG3 PRO B 38 31.782 9.629 -5.319 1.00 10.00 H new ATOM 0 HD2 PRO B 38 33.013 11.376 -7.498 1.00 10.00 H new ATOM 0 HD3 PRO B 38 33.833 10.322 -6.362 1.00 10.00 H new ATOM 1116 N ASP B 39 31.240 9.668 -10.244 1.00 10.00 N ATOM 1117 CA ASP B 39 30.804 9.742 -11.650 1.00 10.00 C ATOM 1118 C ASP B 39 31.563 8.796 -12.600 1.00 10.00 C ATOM 1119 O ASP B 39 31.572 8.989 -13.812 1.00 10.00 O ATOM 1120 CB ASP B 39 30.897 11.209 -12.120 1.00 10.00 C ATOM 1121 CG ASP B 39 32.295 11.842 -12.025 1.00 10.00 C ATOM 1122 OD1 ASP B 39 33.059 11.459 -11.107 1.00 10.00 O ATOM 1123 OD2 ASP B 39 32.543 12.776 -12.812 1.00 10.00 O ATOM 0 H ASP B 39 31.845 10.441 -9.965 1.00 10.00 H new ATOM 0 HA ASP B 39 29.772 9.394 -11.690 1.00 10.00 H new ATOM 0 HB2 ASP B 39 30.561 11.263 -13.156 1.00 10.00 H new ATOM 0 HB3 ASP B 39 30.204 11.807 -11.528 1.00 10.00 H new ATOM 1128 N GLN B 40 32.263 7.824 -12.017 1.00 10.00 N ATOM 1129 CA GLN B 40 32.930 6.748 -12.766 1.00 10.00 C ATOM 1130 C GLN B 40 32.570 5.355 -12.203 1.00 10.00 C ATOM 1131 O GLN B 40 33.109 4.325 -12.604 1.00 10.00 O ATOM 1132 CB GLN B 40 34.437 6.999 -12.700 1.00 10.00 C ATOM 1133 CG GLN B 40 35.195 6.136 -13.718 1.00 10.00 C ATOM 1134 CD GLN B 40 36.686 6.004 -13.405 1.00 10.00 C ATOM 1135 OE1 GLN B 40 37.045 6.057 -12.140 1.00 10.00 O flip ATOM 1136 NE2 GLN B 40 37.518 5.836 -14.286 1.00 10.00 N flip ATOM 0 H GLN B 40 32.387 7.756 -11.007 1.00 10.00 H new ATOM 0 HA GLN B 40 32.592 6.755 -13.802 1.00 10.00 H new ATOM 0 HB2 GLN B 40 34.640 8.053 -12.891 1.00 10.00 H new ATOM 0 HB3 GLN B 40 34.800 6.782 -11.695 1.00 10.00 H new ATOM 0 HG2 GLN B 40 34.747 5.143 -13.747 1.00 10.00 H new ATOM 0 HG3 GLN B 40 35.076 6.569 -14.711 1.00 10.00 H new ATOM 0 HE21 GLN B 40 37.226 5.797 -15.263 1.00 10.00 H new ATOM 0 HE22 GLN B 40 38.504 5.735 -14.044 1.00 10.00 H new ATOM 1145 N GLN B 41 31.638 5.345 -11.257 1.00 10.00 N ATOM 1146 CA GLN B 41 31.188 4.114 -10.591 1.00 10.00 C ATOM 1147 C GLN B 41 29.844 3.679 -11.182 1.00 10.00 C ATOM 1148 O GLN B 41 28.938 4.482 -11.373 1.00 10.00 O ATOM 1149 CB GLN B 41 30.974 4.404 -9.106 1.00 10.00 C ATOM 1150 CG GLN B 41 32.226 4.913 -8.393 1.00 10.00 C ATOM 1151 CD GLN B 41 31.927 5.199 -6.921 1.00 10.00 C ATOM 1152 OE1 GLN B 41 31.230 4.472 -6.225 1.00 10.00 O ATOM 1153 NE2 GLN B 41 32.500 6.261 -6.407 1.00 10.00 N ATOM 0 H GLN B 41 31.169 6.188 -10.925 1.00 10.00 H new ATOM 0 HA GLN B 41 31.936 3.333 -10.731 1.00 10.00 H new ATOM 0 HB2 GLN B 41 30.180 5.144 -9.000 1.00 10.00 H new ATOM 0 HB3 GLN B 41 30.630 3.495 -8.613 1.00 10.00 H new ATOM 0 HG2 GLN B 41 33.022 4.173 -8.471 1.00 10.00 H new ATOM 0 HG3 GLN B 41 32.585 5.820 -8.880 1.00 10.00 H new ATOM 0 HE21 GLN B 41 33.079 6.862 -6.993 1.00 10.00 H new ATOM 0 HE22 GLN B 41 32.366 6.486 -5.421 1.00 10.00 H new ATOM 1162 N ARG B 42 29.777 2.380 -11.479 1.00 10.00 N ATOM 1163 CA ARG B 42 28.527 1.713 -11.886 1.00 10.00 C ATOM 1164 C ARG B 42 28.268 0.553 -10.921 1.00 10.00 C ATOM 1165 O ARG B 42 29.042 -0.399 -10.865 1.00 10.00 O ATOM 1166 CB ARG B 42 28.629 1.187 -13.322 1.00 10.00 C ATOM 1167 CG ARG B 42 28.737 2.329 -14.336 1.00 10.00 C ATOM 1168 CD ARG B 42 29.048 1.813 -15.743 1.00 10.00 C ATOM 1169 NE ARG B 42 27.915 1.103 -16.359 1.00 10.00 N ATOM 1170 CZ ARG B 42 27.960 0.506 -17.562 1.00 10.00 C ATOM 1171 NH1 ARG B 42 29.072 0.496 -18.278 1.00 10.00 N ATOM 1172 NH2 ARG B 42 26.875 -0.040 -18.071 1.00 10.00 N ATOM 0 H ARG B 42 30.584 1.757 -11.446 1.00 10.00 H new ATOM 0 HA ARG B 42 27.705 2.428 -11.852 1.00 10.00 H new ATOM 0 HB2 ARG B 42 29.500 0.538 -13.411 1.00 10.00 H new ATOM 0 HB3 ARG B 42 27.754 0.579 -13.550 1.00 10.00 H new ATOM 0 HG2 ARG B 42 27.802 2.890 -14.353 1.00 10.00 H new ATOM 0 HG3 ARG B 42 29.518 3.021 -14.022 1.00 10.00 H new ATOM 0 HD2 ARG B 42 29.332 2.653 -16.377 1.00 10.00 H new ATOM 0 HD3 ARG B 42 29.907 1.144 -15.697 1.00 10.00 H new ATOM 0 HE ARG B 42 27.039 1.062 -15.839 1.00 10.00 H new ATOM 0 HH11 ARG B 42 29.914 0.946 -17.919 1.00 10.00 H new ATOM 0 HH12 ARG B 42 29.088 0.038 -19.189 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.998 -0.010 -17.552 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.912 -0.492 -18.984 1.00 10.00 H new ATOM 1186 N LEU B 43 27.257 0.742 -10.074 1.00 10.00 N ATOM 1187 CA LEU B 43 26.915 -0.244 -9.034 1.00 10.00 C ATOM 1188 C LEU B 43 25.786 -1.175 -9.487 1.00 10.00 C ATOM 1189 O LEU B 43 24.798 -0.737 -10.060 1.00 10.00 O ATOM 1190 CB LEU B 43 26.494 0.440 -7.732 1.00 10.00 C ATOM 1191 CG LEU B 43 27.592 1.287 -7.081 1.00 10.00 C ATOM 1192 CD1 LEU B 43 27.052 1.900 -5.792 1.00 10.00 C ATOM 1193 CD2 LEU B 43 28.839 0.455 -6.765 1.00 10.00 C ATOM 0 H LEU B 43 26.657 1.567 -10.083 1.00 10.00 H new ATOM 0 HA LEU B 43 27.816 -0.832 -8.860 1.00 10.00 H new ATOM 0 HB2 LEU B 43 25.631 1.076 -7.932 1.00 10.00 H new ATOM 0 HB3 LEU B 43 26.171 -0.322 -7.023 1.00 10.00 H new ATOM 0 HG LEU B 43 27.881 2.068 -7.785 1.00 10.00 H new ATOM 0 HD11 LEU B 43 27.829 2.504 -5.323 1.00 10.00 H new ATOM 0 HD12 LEU B 43 26.191 2.529 -6.021 1.00 10.00 H new ATOM 0 HD13 LEU B 43 26.750 1.105 -5.110 1.00 10.00 H new ATOM 0 HD21 LEU B 43 29.594 1.092 -6.304 1.00 10.00 H new ATOM 0 HD22 LEU B 43 28.575 -0.350 -6.079 1.00 10.00 H new ATOM 0 HD23 LEU B 43 29.236 0.030 -7.687 1.00 10.00 H new ATOM 1205 N ILE B 44 25.989 -2.457 -9.191 1.00 10.00 N ATOM 1206 CA ILE B 44 25.045 -3.523 -9.569 1.00 10.00 C ATOM 1207 C ILE B 44 24.564 -4.226 -8.295 1.00 10.00 C ATOM 1208 O ILE B 44 25.363 -4.557 -7.418 1.00 10.00 O ATOM 1209 CB ILE B 44 25.693 -4.525 -10.561 1.00 10.00 C ATOM 1210 CG1 ILE B 44 25.941 -3.906 -11.945 1.00 10.00 C ATOM 1211 CG2 ILE B 44 24.872 -5.805 -10.784 1.00 10.00 C ATOM 1212 CD1 ILE B 44 27.103 -2.910 -12.029 1.00 10.00 C ATOM 0 H ILE B 44 26.808 -2.792 -8.684 1.00 10.00 H new ATOM 0 HA ILE B 44 24.190 -3.086 -10.084 1.00 10.00 H new ATOM 0 HB ILE B 44 26.635 -4.782 -10.076 1.00 10.00 H new ATOM 0 HG12 ILE B 44 26.125 -4.712 -12.655 1.00 10.00 H new ATOM 0 HG13 ILE B 44 25.030 -3.401 -12.265 1.00 10.00 H new ATOM 0 HG21 ILE B 44 25.392 -6.453 -11.490 1.00 10.00 H new ATOM 0 HG22 ILE B 44 24.748 -6.327 -9.835 1.00 10.00 H new ATOM 0 HG23 ILE B 44 23.893 -5.544 -11.185 1.00 10.00 H new ATOM 0 HD11 ILE B 44 27.188 -2.535 -13.049 1.00 10.00 H new ATOM 0 HD12 ILE B 44 26.918 -2.077 -11.351 1.00 10.00 H new ATOM 0 HD13 ILE B 44 28.030 -3.408 -11.747 1.00 10.00 H new ATOM 1224 N PHE B 45 23.276 -4.542 -8.322 1.00 10.00 N ATOM 1225 CA PHE B 45 22.647 -5.422 -7.324 1.00 10.00 C ATOM 1226 C PHE B 45 21.393 -6.057 -7.929 1.00 10.00 C ATOM 1227 O PHE B 45 20.587 -5.369 -8.551 1.00 10.00 O ATOM 1228 CB PHE B 45 22.286 -4.625 -6.068 1.00 10.00 C ATOM 1229 CG PHE B 45 21.669 -5.533 -5.003 1.00 10.00 C ATOM 1230 CD1 PHE B 45 22.484 -6.380 -4.263 1.00 10.00 C ATOM 1231 CD2 PHE B 45 20.296 -5.519 -4.795 1.00 10.00 C ATOM 1232 CE1 PHE B 45 21.922 -7.222 -3.313 1.00 10.00 C ATOM 1233 CE2 PHE B 45 19.734 -6.354 -3.838 1.00 10.00 C ATOM 1234 CZ PHE B 45 20.547 -7.205 -3.099 1.00 10.00 C ATOM 0 H PHE B 45 22.630 -4.199 -9.034 1.00 10.00 H new ATOM 0 HA PHE B 45 23.348 -6.208 -7.042 1.00 10.00 H new ATOM 0 HB2 PHE B 45 23.179 -4.144 -5.669 1.00 10.00 H new ATOM 0 HB3 PHE B 45 21.585 -3.831 -6.325 1.00 10.00 H new ATOM 0 HD1 PHE B 45 23.552 -6.384 -4.426 1.00 10.00 H new ATOM 0 HD2 PHE B 45 19.667 -4.861 -5.376 1.00 10.00 H new ATOM 0 HE1 PHE B 45 22.550 -7.889 -2.741 1.00 10.00 H new ATOM 0 HE2 PHE B 45 18.667 -6.342 -3.668 1.00 10.00 H new ATOM 0 HZ PHE B 45 20.110 -7.856 -2.356 1.00 10.00 H new ATOM 1244 N ALA B 46 21.337 -7.384 -7.831 1.00 10.00 N ATOM 1245 CA ALA B 46 20.198 -8.196 -8.331 1.00 10.00 C ATOM 1246 C ALA B 46 19.925 -7.958 -9.830 1.00 10.00 C ATOM 1247 O ALA B 46 18.779 -7.824 -10.289 1.00 10.00 O ATOM 1248 CB ALA B 46 18.971 -7.961 -7.431 1.00 10.00 C ATOM 0 H ALA B 46 22.077 -7.941 -7.403 1.00 10.00 H new ATOM 0 HA ALA B 46 20.455 -9.253 -8.268 1.00 10.00 H new ATOM 0 HB1 ALA B 46 18.133 -8.556 -7.795 1.00 10.00 H new ATOM 0 HB2 ALA B 46 19.208 -8.256 -6.409 1.00 10.00 H new ATOM 0 HB3 ALA B 46 18.702 -6.905 -7.451 1.00 10.00 H new ATOM 1254 N GLY B 47 21.013 -7.885 -10.594 1.00 10.00 N ATOM 1255 CA GLY B 47 20.986 -7.676 -12.062 1.00 10.00 C ATOM 1256 C GLY B 47 20.424 -6.308 -12.483 1.00 10.00 C ATOM 1257 O GLY B 47 19.862 -6.164 -13.568 1.00 10.00 O ATOM 0 H GLY B 47 21.957 -7.969 -10.217 1.00 10.00 H new ATOM 0 HA2 GLY B 47 21.998 -7.779 -12.453 1.00 10.00 H new ATOM 0 HA3 GLY B 47 20.386 -8.462 -12.521 1.00 10.00 H new ATOM 1261 N LYS B 48 20.641 -5.314 -11.632 1.00 10.00 N ATOM 1262 CA LYS B 48 20.174 -3.933 -11.853 1.00 10.00 C ATOM 1263 C LYS B 48 21.332 -2.957 -11.625 1.00 10.00 C ATOM 1264 O LYS B 48 22.115 -3.116 -10.695 1.00 10.00 O ATOM 1265 CB LYS B 48 19.050 -3.610 -10.862 1.00 10.00 C ATOM 1266 CG LYS B 48 17.742 -4.333 -11.207 1.00 10.00 C ATOM 1267 CD LYS B 48 16.643 -4.033 -10.184 1.00 10.00 C ATOM 1268 CE LYS B 48 16.757 -4.871 -8.905 1.00 10.00 C ATOM 1269 NZ LYS B 48 16.470 -6.288 -9.170 1.00 10.00 N ATOM 0 H LYS B 48 21.151 -5.435 -10.757 1.00 10.00 H new ATOM 0 HA LYS B 48 19.807 -3.837 -12.875 1.00 10.00 H new ATOM 0 HB2 LYS B 48 19.363 -3.891 -9.857 1.00 10.00 H new ATOM 0 HB3 LYS B 48 18.876 -2.534 -10.852 1.00 10.00 H new ATOM 0 HG2 LYS B 48 17.409 -4.029 -12.199 1.00 10.00 H new ATOM 0 HG3 LYS B 48 17.919 -5.408 -11.246 1.00 10.00 H new ATOM 0 HD2 LYS B 48 16.680 -2.976 -9.921 1.00 10.00 H new ATOM 0 HD3 LYS B 48 15.671 -4.214 -10.643 1.00 10.00 H new ATOM 0 HE2 LYS B 48 17.760 -4.772 -8.490 1.00 10.00 H new ATOM 0 HE3 LYS B 48 16.063 -4.491 -8.155 1.00 10.00 H new ATOM 0 HZ1 LYS B 48 16.204 -6.760 -8.282 1.00 10.00 H new ATOM 0 HZ2 LYS B 48 15.686 -6.362 -9.850 1.00 10.00 H new ATOM 0 HZ3 LYS B 48 17.316 -6.745 -9.566 1.00 10.00 H new ATOM 1283 N GLN B 49 21.447 -2.001 -12.552 1.00 10.00 N ATOM 1284 CA GLN B 49 22.387 -0.879 -12.390 1.00 10.00 C ATOM 1285 C GLN B 49 21.719 0.188 -11.521 1.00 10.00 C ATOM 1286 O GLN B 49 20.577 0.577 -11.737 1.00 10.00 O ATOM 1287 CB GLN B 49 22.761 -0.261 -13.739 1.00 10.00 C ATOM 1288 CG GLN B 49 23.354 -1.299 -14.695 1.00 10.00 C ATOM 1289 CD GLN B 49 24.099 -0.646 -15.857 1.00 10.00 C ATOM 1290 OE1 GLN B 49 24.850 0.311 -15.711 1.00 10.00 O ATOM 1291 NE2 GLN B 49 23.955 -1.224 -17.028 1.00 10.00 N ATOM 0 H GLN B 49 20.907 -1.978 -13.417 1.00 10.00 H new ATOM 0 HA GLN B 49 23.299 -1.252 -11.925 1.00 10.00 H new ATOM 0 HB2 GLN B 49 21.876 0.186 -14.192 1.00 10.00 H new ATOM 0 HB3 GLN B 49 23.481 0.543 -13.584 1.00 10.00 H new ATOM 0 HG2 GLN B 49 24.036 -1.949 -14.147 1.00 10.00 H new ATOM 0 HG3 GLN B 49 22.556 -1.931 -15.085 1.00 10.00 H new ATOM 0 HE21 GLN B 49 23.325 -2.020 -17.130 1.00 10.00 H new ATOM 0 HE22 GLN B 49 24.473 -0.877 -17.835 1.00 10.00 H new ATOM 1300 N LEU B 50 22.468 0.626 -10.509 1.00 10.00 N ATOM 1301 CA LEU B 50 21.929 1.557 -9.512 1.00 10.00 C ATOM 1302 C LEU B 50 21.970 3.002 -10.020 1.00 10.00 C ATOM 1303 O LEU B 50 22.950 3.470 -10.578 1.00 10.00 O ATOM 1304 CB LEU B 50 22.679 1.370 -8.189 1.00 10.00 C ATOM 1305 CG LEU B 50 22.710 -0.094 -7.721 1.00 10.00 C ATOM 1306 CD1 LEU B 50 23.378 -0.182 -6.354 1.00 10.00 C ATOM 1307 CD2 LEU B 50 21.329 -0.759 -7.676 1.00 10.00 C ATOM 0 H LEU B 50 23.440 0.356 -10.357 1.00 10.00 H new ATOM 0 HA LEU B 50 20.876 1.335 -9.336 1.00 10.00 H new ATOM 0 HB2 LEU B 50 23.701 1.732 -8.302 1.00 10.00 H new ATOM 0 HB3 LEU B 50 22.208 1.982 -7.420 1.00 10.00 H new ATOM 0 HG LEU B 50 23.287 -0.645 -8.464 1.00 10.00 H new ATOM 0 HD11 LEU B 50 23.398 -1.221 -6.025 1.00 10.00 H new ATOM 0 HD12 LEU B 50 24.398 0.197 -6.422 1.00 10.00 H new ATOM 0 HD13 LEU B 50 22.816 0.415 -5.635 1.00 10.00 H new ATOM 0 HD21 LEU B 50 21.432 -1.790 -7.337 1.00 10.00 H new ATOM 0 HD22 LEU B 50 20.685 -0.213 -6.987 1.00 10.00 H new ATOM 0 HD23 LEU B 50 20.887 -0.748 -8.672 1.00 10.00 H new ATOM 1319 N GLU B 51 20.849 3.685 -9.793 1.00 10.00 N ATOM 1320 CA GLU B 51 20.618 5.051 -10.269 1.00 10.00 C ATOM 1321 C GLU B 51 20.815 6.057 -9.139 1.00 10.00 C ATOM 1322 O GLU B 51 20.300 5.865 -8.045 1.00 10.00 O ATOM 1323 CB GLU B 51 19.192 5.139 -10.800 1.00 10.00 C ATOM 1324 CG GLU B 51 18.964 4.389 -12.109 1.00 10.00 C ATOM 1325 CD GLU B 51 19.781 4.960 -13.249 1.00 10.00 C ATOM 1326 OE1 GLU B 51 19.387 6.012 -13.795 1.00 10.00 O ATOM 1327 OE2 GLU B 51 20.803 4.348 -13.621 1.00 10.00 O ATOM 0 H GLU B 51 20.064 3.301 -9.266 1.00 10.00 H new ATOM 0 HA GLU B 51 21.332 5.288 -11.058 1.00 10.00 H new ATOM 0 HB2 GLU B 51 18.511 4.746 -10.046 1.00 10.00 H new ATOM 0 HB3 GLU B 51 18.935 6.188 -10.946 1.00 10.00 H new ATOM 0 HG2 GLU B 51 19.220 3.338 -11.972 1.00 10.00 H new ATOM 0 HG3 GLU B 51 17.906 4.428 -12.368 1.00 10.00 H new ATOM 1334 N ASP B 52 21.487 7.154 -9.458 1.00 10.00 N ATOM 1335 CA ASP B 52 21.888 8.163 -8.448 1.00 10.00 C ATOM 1336 C ASP B 52 20.751 8.661 -7.548 1.00 10.00 C ATOM 1337 O ASP B 52 20.910 8.667 -6.322 1.00 10.00 O ATOM 1338 CB ASP B 52 22.563 9.362 -9.123 1.00 10.00 C ATOM 1339 CG ASP B 52 23.970 9.039 -9.628 1.00 10.00 C ATOM 1340 OD1 ASP B 52 24.691 8.331 -8.892 1.00 10.00 O ATOM 1341 OD2 ASP B 52 24.259 9.465 -10.766 1.00 10.00 O ATOM 0 H ASP B 52 21.774 7.382 -10.410 1.00 10.00 H new ATOM 0 HA ASP B 52 22.587 7.641 -7.794 1.00 10.00 H new ATOM 0 HB2 ASP B 52 21.949 9.696 -9.959 1.00 10.00 H new ATOM 0 HB3 ASP B 52 22.616 10.190 -8.416 1.00 10.00 H new ATOM 1346 N GLY B 53 19.607 8.982 -8.189 1.00 10.00 N ATOM 1347 CA GLY B 53 18.417 9.494 -7.497 1.00 10.00 C ATOM 1348 C GLY B 53 17.554 8.436 -6.807 1.00 10.00 C ATOM 1349 O GLY B 53 16.444 8.741 -6.353 1.00 10.00 O ATOM 0 H GLY B 53 19.488 8.892 -9.198 1.00 10.00 H new ATOM 0 HA2 GLY B 53 18.736 10.221 -6.751 1.00 10.00 H new ATOM 0 HA3 GLY B 53 17.799 10.028 -8.219 1.00 10.00 H new ATOM 1353 N ARG B 54 18.029 7.189 -6.768 1.00 10.00 N ATOM 1354 CA ARG B 54 17.321 6.100 -6.077 1.00 10.00 C ATOM 1355 C ARG B 54 18.068 5.785 -4.784 1.00 10.00 C ATOM 1356 O ARG B 54 19.214 6.207 -4.606 1.00 10.00 O ATOM 1357 CB ARG B 54 17.225 4.837 -6.953 1.00 10.00 C ATOM 1358 CG ARG B 54 16.540 5.024 -8.319 1.00 10.00 C ATOM 1359 CD ARG B 54 15.167 5.704 -8.252 1.00 10.00 C ATOM 1360 NE ARG B 54 14.212 4.952 -7.440 1.00 10.00 N ATOM 1361 CZ ARG B 54 12.884 4.958 -7.599 1.00 10.00 C ATOM 1362 NH1 ARG B 54 12.303 5.545 -8.640 1.00 10.00 N ATOM 1363 NH2 ARG B 54 12.128 4.374 -6.688 1.00 10.00 N ATOM 0 H ARG B 54 18.904 6.904 -7.208 1.00 10.00 H new ATOM 0 HA ARG B 54 16.302 6.421 -5.862 1.00 10.00 H new ATOM 0 HB2 ARG B 54 18.232 4.456 -7.121 1.00 10.00 H new ATOM 0 HB3 ARG B 54 16.683 4.072 -6.397 1.00 10.00 H new ATOM 0 HG2 ARG B 54 17.193 5.614 -8.961 1.00 10.00 H new ATOM 0 HG3 ARG B 54 16.426 4.048 -8.791 1.00 10.00 H new ATOM 0 HD2 ARG B 54 15.281 6.706 -7.839 1.00 10.00 H new ATOM 0 HD3 ARG B 54 14.771 5.818 -9.261 1.00 10.00 H new ATOM 0 HE ARG B 54 14.590 4.374 -6.689 1.00 10.00 H new ATOM 0 HH11 ARG B 54 12.873 6.009 -9.347 1.00 10.00 H new ATOM 0 HH12 ARG B 54 11.287 5.532 -8.732 1.00 10.00 H new ATOM 0 HH21 ARG B 54 12.558 3.927 -5.878 1.00 10.00 H new ATOM 0 HH22 ARG B 54 11.114 4.369 -6.794 1.00 10.00 H new ATOM 1377 N THR B 55 17.430 5.032 -3.898 1.00 10.00 N ATOM 1378 CA THR B 55 18.023 4.685 -2.602 1.00 10.00 C ATOM 1379 C THR B 55 18.167 3.173 -2.442 1.00 10.00 C ATOM 1380 O THR B 55 17.680 2.405 -3.268 1.00 10.00 O ATOM 1381 CB THR B 55 17.165 5.196 -1.428 1.00 10.00 C ATOM 1382 OG1 THR B 55 15.878 4.575 -1.473 1.00 10.00 O ATOM 1383 CG2 THR B 55 17.012 6.722 -1.455 1.00 10.00 C ATOM 0 H THR B 55 16.498 4.646 -4.049 1.00 10.00 H new ATOM 0 HA THR B 55 19.003 5.162 -2.583 1.00 10.00 H new ATOM 0 HB THR B 55 17.673 4.934 -0.500 1.00 10.00 H new ATOM 0 HG1 THR B 55 15.723 4.083 -0.640 1.00 10.00 H new ATOM 0 HG21 THR B 55 16.401 7.041 -0.611 1.00 10.00 H new ATOM 0 HG22 THR B 55 17.995 7.188 -1.387 1.00 10.00 H new ATOM 0 HG23 THR B 55 16.531 7.023 -2.386 1.00 10.00 H new ATOM 1391 N LEU B 56 18.849 2.762 -1.372 1.00 10.00 N ATOM 1392 CA LEU B 56 19.063 1.328 -1.083 1.00 10.00 C ATOM 1393 C LEU B 56 17.754 0.548 -0.887 1.00 10.00 C ATOM 1394 O LEU B 56 17.554 -0.516 -1.469 1.00 10.00 O ATOM 1395 CB LEU B 56 19.940 1.148 0.159 1.00 10.00 C ATOM 1396 CG LEU B 56 21.360 1.684 -0.030 1.00 10.00 C ATOM 1397 CD1 LEU B 56 22.123 1.518 1.278 1.00 10.00 C ATOM 1398 CD2 LEU B 56 22.121 0.956 -1.140 1.00 10.00 C ATOM 0 H LEU B 56 19.265 3.394 -0.688 1.00 10.00 H new ATOM 0 HA LEU B 56 19.564 0.921 -1.961 1.00 10.00 H new ATOM 0 HB2 LEU B 56 19.474 1.657 1.003 1.00 10.00 H new ATOM 0 HB3 LEU B 56 19.988 0.089 0.413 1.00 10.00 H new ATOM 0 HG LEU B 56 21.282 2.732 -0.318 1.00 10.00 H new ATOM 0 HD11 LEU B 56 23.138 1.896 1.158 1.00 10.00 H new ATOM 0 HD12 LEU B 56 21.619 2.076 2.067 1.00 10.00 H new ATOM 0 HD13 LEU B 56 22.159 0.462 1.547 1.00 10.00 H new ATOM 0 HD21 LEU B 56 23.122 1.377 -1.231 1.00 10.00 H new ATOM 0 HD22 LEU B 56 22.193 -0.104 -0.897 1.00 10.00 H new ATOM 0 HD23 LEU B 56 21.590 1.076 -2.084 1.00 10.00 H new ATOM 1410 N SER B 57 16.801 1.221 -0.223 1.00 10.00 N ATOM 1411 CA SER B 57 15.460 0.675 0.028 1.00 10.00 C ATOM 1412 C SER B 57 14.629 0.621 -1.258 1.00 10.00 C ATOM 1413 O SER B 57 13.585 -0.028 -1.298 1.00 10.00 O ATOM 1414 CB SER B 57 14.729 1.519 1.095 1.00 10.00 C ATOM 1415 OG SER B 57 14.523 2.847 0.650 1.00 10.00 O ATOM 0 H SER B 57 16.939 2.158 0.154 1.00 10.00 H new ATOM 0 HA SER B 57 15.579 -0.344 0.397 1.00 10.00 H new ATOM 0 HB2 SER B 57 13.769 1.059 1.330 1.00 10.00 H new ATOM 0 HB3 SER B 57 15.312 1.528 2.016 1.00 10.00 H new ATOM 0 HG SER B 57 14.057 3.357 1.346 1.00 10.00 H new ATOM 1421 N ASP B 58 15.092 1.327 -2.297 1.00 10.00 N ATOM 1422 CA ASP B 58 14.382 1.403 -3.587 1.00 10.00 C ATOM 1423 C ASP B 58 14.809 0.296 -4.557 1.00 10.00 C ATOM 1424 O ASP B 58 14.210 0.126 -5.623 1.00 10.00 O ATOM 1425 CB ASP B 58 14.610 2.768 -4.245 1.00 10.00 C ATOM 1426 CG ASP B 58 13.793 3.871 -3.619 1.00 10.00 C ATOM 1427 OD1 ASP B 58 12.894 3.578 -2.790 1.00 10.00 O ATOM 1428 OD2 ASP B 58 14.048 5.038 -3.963 1.00 10.00 O ATOM 0 H ASP B 58 15.962 1.859 -2.272 1.00 10.00 H new ATOM 0 HA ASP B 58 13.323 1.267 -3.369 1.00 10.00 H new ATOM 0 HB2 ASP B 58 15.667 3.025 -4.178 1.00 10.00 H new ATOM 0 HB3 ASP B 58 14.365 2.699 -5.305 1.00 10.00 H new ATOM 1433 N TYR B 59 15.856 -0.442 -4.192 1.00 10.00 N ATOM 1434 CA TYR B 59 16.375 -1.539 -5.016 1.00 10.00 C ATOM 1435 C TYR B 59 16.309 -2.877 -4.269 1.00 10.00 C ATOM 1436 O TYR B 59 16.729 -3.919 -4.791 1.00 10.00 O ATOM 1437 CB TYR B 59 17.823 -1.244 -5.397 1.00 10.00 C ATOM 1438 CG TYR B 59 17.979 -0.445 -6.659 1.00 10.00 C ATOM 1439 CD1 TYR B 59 17.686 -1.010 -7.893 1.00 10.00 C ATOM 1440 CD2 TYR B 59 18.482 0.848 -6.624 1.00 10.00 C ATOM 1441 CE1 TYR B 59 17.880 -0.301 -9.062 1.00 10.00 C ATOM 1442 CE2 TYR B 59 18.669 1.565 -7.788 1.00 10.00 C ATOM 1443 CZ TYR B 59 18.380 0.979 -9.004 1.00 10.00 C ATOM 1444 OH TYR B 59 18.596 1.677 -10.163 1.00 10.00 O ATOM 0 H TYR B 59 16.368 -0.300 -3.322 1.00 10.00 H new ATOM 0 HA TYR B 59 15.757 -1.616 -5.911 1.00 10.00 H new ATOM 0 HB2 TYR B 59 18.299 -0.705 -4.578 1.00 10.00 H new ATOM 0 HB3 TYR B 59 18.356 -2.188 -5.510 1.00 10.00 H new ATOM 0 HD1 TYR B 59 17.301 -2.018 -7.939 1.00 10.00 H new ATOM 0 HD2 TYR B 59 18.730 1.298 -5.674 1.00 10.00 H new ATOM 0 HE1 TYR B 59 17.641 -0.749 -10.015 1.00 10.00 H new ATOM 0 HE2 TYR B 59 19.039 2.579 -7.748 1.00 10.00 H new ATOM 0 HH TYR B 59 19.262 1.208 -10.708 1.00 10.00 H new ATOM 1454 N ASN B 60 15.767 -2.830 -3.048 1.00 10.00 N ATOM 1455 CA ASN B 60 15.624 -4.004 -2.172 1.00 10.00 C ATOM 1456 C ASN B 60 16.969 -4.433 -1.551 1.00 10.00 C ATOM 1457 O ASN B 60 17.133 -5.546 -1.048 1.00 10.00 O ATOM 1458 CB ASN B 60 14.933 -5.154 -2.915 1.00 10.00 C ATOM 1459 CG ASN B 60 14.157 -6.077 -1.989 1.00 10.00 C ATOM 1460 OD1 ASN B 60 13.642 -5.654 -0.948 1.00 10.00 O ATOM 1461 ND2 ASN B 60 14.080 -7.340 -2.353 1.00 10.00 N ATOM 0 H ASN B 60 15.411 -1.969 -2.633 1.00 10.00 H new ATOM 0 HA ASN B 60 14.984 -3.720 -1.337 1.00 10.00 H new ATOM 0 HB2 ASN B 60 14.254 -4.741 -3.661 1.00 10.00 H new ATOM 0 HB3 ASN B 60 15.683 -5.734 -3.453 1.00 10.00 H new ATOM 0 HD21 ASN B 60 13.581 -8.010 -1.768 1.00 10.00 H new ATOM 0 HD22 ASN B 60 14.519 -7.648 -3.220 1.00 10.00 H new ATOM 1468 N ILE B 61 17.930 -3.524 -1.625 1.00 10.00 N ATOM 1469 CA ILE B 61 19.256 -3.683 -0.996 1.00 10.00 C ATOM 1470 C ILE B 61 19.073 -3.482 0.511 1.00 10.00 C ATOM 1471 O ILE B 61 18.879 -2.367 0.985 1.00 10.00 O ATOM 1472 CB ILE B 61 20.278 -2.696 -1.597 1.00 10.00 C ATOM 1473 CG1 ILE B 61 20.412 -2.966 -3.104 1.00 10.00 C ATOM 1474 CG2 ILE B 61 21.636 -2.782 -0.877 1.00 10.00 C ATOM 1475 CD1 ILE B 61 21.303 -1.990 -3.878 1.00 10.00 C ATOM 0 H ILE B 61 17.821 -2.642 -2.126 1.00 10.00 H new ATOM 0 HA ILE B 61 19.658 -4.678 -1.187 1.00 10.00 H new ATOM 0 HB ILE B 61 19.919 -1.677 -1.453 1.00 10.00 H new ATOM 0 HG12 ILE B 61 20.805 -3.974 -3.240 1.00 10.00 H new ATOM 0 HG13 ILE B 61 19.416 -2.949 -3.547 1.00 10.00 H new ATOM 0 HG21 ILE B 61 22.332 -2.073 -1.326 1.00 10.00 H new ATOM 0 HG22 ILE B 61 21.504 -2.542 0.178 1.00 10.00 H new ATOM 0 HG23 ILE B 61 22.035 -3.792 -0.972 1.00 10.00 H new ATOM 0 HD11 ILE B 61 21.326 -2.274 -4.930 1.00 10.00 H new ATOM 0 HD12 ILE B 61 20.904 -0.980 -3.784 1.00 10.00 H new ATOM 0 HD13 ILE B 61 22.314 -2.020 -3.472 1.00 10.00 H new ATOM 1487 N GLN B 62 19.149 -4.584 1.241 1.00 10.00 N ATOM 1488 CA GLN B 62 18.967 -4.567 2.684 1.00 10.00 C ATOM 1489 C GLN B 62 20.301 -4.753 3.409 1.00 10.00 C ATOM 1490 O GLN B 62 21.366 -4.713 2.792 1.00 10.00 O ATOM 1491 CB GLN B 62 17.975 -5.670 3.079 1.00 10.00 C ATOM 1492 CG GLN B 62 16.598 -5.531 2.426 1.00 10.00 C ATOM 1493 CD GLN B 62 15.570 -6.512 2.983 1.00 10.00 C ATOM 1494 OE1 GLN B 62 16.035 -7.620 3.539 1.00 10.00 O flip ATOM 1495 NE2 GLN B 62 14.366 -6.261 2.928 1.00 10.00 N flip ATOM 0 H GLN B 62 19.337 -5.509 0.854 1.00 10.00 H new ATOM 0 HA GLN B 62 18.567 -3.597 2.981 1.00 10.00 H new ATOM 0 HB2 GLN B 62 18.398 -6.638 2.810 1.00 10.00 H new ATOM 0 HB3 GLN B 62 17.854 -5.665 4.162 1.00 10.00 H new ATOM 0 HG2 GLN B 62 16.235 -4.513 2.570 1.00 10.00 H new ATOM 0 HG3 GLN B 62 16.695 -5.686 1.351 1.00 10.00 H new ATOM 0 HE21 GLN B 62 14.045 -5.397 2.492 1.00 10.00 H new ATOM 0 HE22 GLN B 62 13.690 -6.917 3.319 1.00 10.00 H new ATOM 1504 N LYS B 63 20.237 -4.939 4.727 1.00 10.00 N ATOM 1505 CA LYS B 63 21.457 -5.137 5.535 1.00 10.00 C ATOM 1506 C LYS B 63 22.147 -6.433 5.092 1.00 10.00 C ATOM 1507 O LYS B 63 21.475 -7.393 4.728 1.00 10.00 O ATOM 1508 CB LYS B 63 21.121 -5.186 7.031 1.00 10.00 C ATOM 1509 CG LYS B 63 20.307 -6.412 7.462 1.00 10.00 C ATOM 1510 CD LYS B 63 19.971 -6.323 8.947 1.00 10.00 C ATOM 1511 CE LYS B 63 19.211 -7.568 9.401 1.00 10.00 C ATOM 1512 NZ LYS B 63 18.724 -7.370 10.771 1.00 10.00 N ATOM 0 H LYS B 63 19.368 -4.958 5.260 1.00 10.00 H new ATOM 0 HA LYS B 63 22.131 -4.295 5.377 1.00 10.00 H new ATOM 0 HB2 LYS B 63 22.051 -5.165 7.600 1.00 10.00 H new ATOM 0 HB3 LYS B 63 20.565 -4.286 7.295 1.00 10.00 H new ATOM 0 HG2 LYS B 63 19.389 -6.473 6.877 1.00 10.00 H new ATOM 0 HG3 LYS B 63 20.873 -7.322 7.263 1.00 10.00 H new ATOM 0 HD2 LYS B 63 20.888 -6.218 9.527 1.00 10.00 H new ATOM 0 HD3 LYS B 63 19.370 -5.434 9.137 1.00 10.00 H new ATOM 0 HE2 LYS B 63 18.374 -7.761 8.730 1.00 10.00 H new ATOM 0 HE3 LYS B 63 19.862 -8.441 9.358 1.00 10.00 H new ATOM 0 HZ1 LYS B 63 18.206 -8.217 11.081 1.00 10.00 H new ATOM 0 HZ2 LYS B 63 19.531 -7.206 11.406 1.00 10.00 H new ATOM 0 HZ3 LYS B 63 18.089 -6.547 10.798 1.00 10.00 H new ATOM 1526 N GLU B 64 23.483 -6.373 5.059 1.00 10.00 N ATOM 1527 CA GLU B 64 24.340 -7.533 4.716 1.00 10.00 C ATOM 1528 C GLU B 64 24.355 -7.881 3.217 1.00 10.00 C ATOM 1529 O GLU B 64 24.971 -8.870 2.822 1.00 10.00 O ATOM 1530 CB GLU B 64 23.912 -8.793 5.490 1.00 10.00 C ATOM 1531 CG GLU B 64 24.952 -9.288 6.492 1.00 10.00 C ATOM 1532 CD GLU B 64 25.385 -8.226 7.508 1.00 10.00 C ATOM 1533 OE1 GLU B 64 24.570 -7.337 7.849 1.00 10.00 O ATOM 1534 OE2 GLU B 64 26.561 -8.332 7.914 1.00 10.00 O ATOM 0 H GLU B 64 24.008 -5.524 5.268 1.00 10.00 H new ATOM 0 HA GLU B 64 25.345 -7.222 5.001 1.00 10.00 H new ATOM 0 HB2 GLU B 64 22.983 -8.584 6.020 1.00 10.00 H new ATOM 0 HB3 GLU B 64 23.700 -9.590 4.778 1.00 10.00 H new ATOM 0 HG2 GLU B 64 24.547 -10.147 7.028 1.00 10.00 H new ATOM 0 HG3 GLU B 64 25.830 -9.637 5.948 1.00 10.00 H new ATOM 1541 N SER B 65 23.741 -7.029 2.401 1.00 10.00 N ATOM 1542 CA SER B 65 23.762 -7.205 0.935 1.00 10.00 C ATOM 1543 C SER B 65 25.160 -6.886 0.416 1.00 10.00 C ATOM 1544 O SER B 65 25.861 -6.033 0.943 1.00 10.00 O ATOM 1545 CB SER B 65 22.788 -6.256 0.241 1.00 10.00 C ATOM 1546 OG SER B 65 21.441 -6.572 0.580 1.00 10.00 O ATOM 0 H SER B 65 23.222 -6.210 2.719 1.00 10.00 H new ATOM 0 HA SER B 65 23.475 -8.235 0.721 1.00 10.00 H new ATOM 0 HB2 SER B 65 23.008 -5.228 0.529 1.00 10.00 H new ATOM 0 HB3 SER B 65 22.920 -6.319 -0.839 1.00 10.00 H new ATOM 0 HG SER B 65 21.185 -6.085 1.391 1.00 10.00 H new ATOM 1552 N THR B 66 25.575 -7.659 -0.590 1.00 10.00 N ATOM 1553 CA THR B 66 26.862 -7.385 -1.245 1.00 10.00 C ATOM 1554 C THR B 66 26.620 -7.083 -2.730 1.00 10.00 C ATOM 1555 O THR B 66 25.807 -7.701 -3.399 1.00 10.00 O ATOM 1556 CB THR B 66 27.952 -8.465 -1.036 1.00 10.00 C ATOM 1557 OG1 THR B 66 28.105 -9.292 -2.187 1.00 10.00 O ATOM 1558 CG2 THR B 66 27.722 -9.373 0.182 1.00 10.00 C ATOM 0 H THR B 66 25.059 -8.457 -0.962 1.00 10.00 H new ATOM 0 HA THR B 66 27.282 -6.509 -0.751 1.00 10.00 H new ATOM 0 HB THR B 66 28.859 -7.889 -0.854 1.00 10.00 H new ATOM 0 HG1 THR B 66 28.802 -9.960 -2.019 1.00 10.00 H new ATOM 0 HG21 THR B 66 28.532 -10.099 0.253 1.00 10.00 H new ATOM 0 HG22 THR B 66 27.698 -8.767 1.088 1.00 10.00 H new ATOM 0 HG23 THR B 66 26.773 -9.898 0.071 1.00 10.00 H new ATOM 1566 N LEU B 67 27.251 -5.982 -3.127 1.00 10.00 N ATOM 1567 CA LEU B 67 27.213 -5.442 -4.489 1.00 10.00 C ATOM 1568 C LEU B 67 28.592 -5.681 -5.118 1.00 10.00 C ATOM 1569 O LEU B 67 29.566 -6.000 -4.447 1.00 10.00 O ATOM 1570 CB LEU B 67 26.936 -3.930 -4.419 1.00 10.00 C ATOM 1571 CG LEU B 67 25.499 -3.509 -4.057 1.00 10.00 C ATOM 1572 CD1 LEU B 67 25.008 -4.000 -2.692 1.00 10.00 C ATOM 1573 CD2 LEU B 67 25.445 -1.983 -4.042 1.00 10.00 C ATOM 0 H LEU B 67 27.821 -5.422 -2.493 1.00 10.00 H new ATOM 0 HA LEU B 67 26.433 -5.922 -5.080 1.00 10.00 H new ATOM 0 HB2 LEU B 67 27.614 -3.493 -3.686 1.00 10.00 H new ATOM 0 HB3 LEU B 67 27.186 -3.493 -5.386 1.00 10.00 H new ATOM 0 HG LEU B 67 24.851 -3.965 -4.806 1.00 10.00 H new ATOM 0 HD11 LEU B 67 23.988 -3.654 -2.526 1.00 10.00 H new ATOM 0 HD12 LEU B 67 25.030 -5.089 -2.668 1.00 10.00 H new ATOM 0 HD13 LEU B 67 25.656 -3.606 -1.909 1.00 10.00 H new ATOM 0 HD21 LEU B 67 24.436 -1.657 -3.788 1.00 10.00 H new ATOM 0 HD22 LEU B 67 26.147 -1.601 -3.301 1.00 10.00 H new ATOM 0 HD23 LEU B 67 25.713 -1.600 -5.027 1.00 10.00 H new ATOM 1585 N HIS B 68 28.618 -5.515 -6.436 1.00 10.00 N ATOM 1586 CA HIS B 68 29.871 -5.591 -7.197 1.00 10.00 C ATOM 1587 C HIS B 68 30.170 -4.251 -7.870 1.00 10.00 C ATOM 1588 O HIS B 68 29.271 -3.485 -8.200 1.00 10.00 O ATOM 1589 CB HIS B 68 29.806 -6.720 -8.228 1.00 10.00 C ATOM 1590 CG HIS B 68 29.973 -8.078 -7.544 1.00 10.00 C ATOM 1591 ND1 HIS B 68 29.009 -8.793 -6.971 1.00 10.00 N ATOM 1592 CD2 HIS B 68 31.109 -8.762 -7.459 1.00 10.00 C ATOM 1593 CE1 HIS B 68 29.553 -9.919 -6.524 1.00 10.00 C ATOM 1594 NE2 HIS B 68 30.847 -9.902 -6.832 1.00 10.00 N ATOM 0 H HIS B 68 27.791 -5.327 -7.003 1.00 10.00 H new ATOM 0 HA HIS B 68 30.684 -5.812 -6.506 1.00 10.00 H new ATOM 0 HB2 HIS B 68 28.852 -6.686 -8.754 1.00 10.00 H new ATOM 0 HB3 HIS B 68 30.588 -6.584 -8.975 1.00 10.00 H new ATOM 0 HD1 HIS B 68 28.028 -8.525 -6.890 1.00 10.00 H new ATOM 0 HD2 HIS B 68 32.072 -8.447 -7.833 1.00 10.00 H new ATOM 0 HE1 HIS B 68 29.035 -10.710 -6.002 1.00 10.00 H new ATOM 1603 N LEU B 69 31.474 -4.007 -7.986 1.00 10.00 N ATOM 1604 CA LEU B 69 32.003 -2.793 -8.612 1.00 10.00 C ATOM 1605 C LEU B 69 32.795 -3.165 -9.872 1.00 10.00 C ATOM 1606 O LEU B 69 33.689 -3.997 -9.847 1.00 10.00 O ATOM 1607 CB LEU B 69 32.912 -2.074 -7.604 1.00 10.00 C ATOM 1608 CG LEU B 69 33.622 -0.842 -8.183 1.00 10.00 C ATOM 1609 CD1 LEU B 69 32.627 0.249 -8.579 1.00 10.00 C ATOM 1610 CD2 LEU B 69 34.637 -0.301 -7.180 1.00 10.00 C ATOM 0 H LEU B 69 32.195 -4.645 -7.649 1.00 10.00 H new ATOM 0 HA LEU B 69 31.185 -2.132 -8.899 1.00 10.00 H new ATOM 0 HB2 LEU B 69 32.316 -1.768 -6.744 1.00 10.00 H new ATOM 0 HB3 LEU B 69 33.661 -2.776 -7.239 1.00 10.00 H new ATOM 0 HG LEU B 69 34.145 -1.152 -9.088 1.00 10.00 H new ATOM 0 HD11 LEU B 69 33.167 1.104 -8.984 1.00 10.00 H new ATOM 0 HD12 LEU B 69 31.943 -0.139 -9.334 1.00 10.00 H new ATOM 0 HD13 LEU B 69 32.060 0.561 -7.702 1.00 10.00 H new ATOM 0 HD21 LEU B 69 35.135 0.573 -7.601 1.00 10.00 H new ATOM 0 HD22 LEU B 69 34.125 -0.019 -6.260 1.00 10.00 H new ATOM 0 HD23 LEU B 69 35.378 -1.070 -6.961 1.00 10.00 H new ATOM 1622 N VAL B 70 32.452 -2.454 -10.970 1.00 10.00 N ATOM 1623 CA VAL B 70 33.167 -2.557 -12.221 1.00 10.00 C ATOM 1624 C VAL B 70 33.780 -1.167 -12.458 1.00 10.00 C ATOM 1625 O VAL B 70 33.116 -0.138 -12.244 1.00 10.00 O ATOM 1626 CB VAL B 70 32.194 -2.954 -13.395 1.00 10.00 C ATOM 1627 CG1 VAL B 70 32.880 -2.863 -14.765 1.00 10.00 C ATOM 1628 CG2 VAL B 70 31.587 -4.345 -13.161 1.00 10.00 C ATOM 0 H VAL B 70 31.670 -1.799 -10.993 1.00 10.00 H new ATOM 0 HA VAL B 70 33.932 -3.332 -12.185 1.00 10.00 H new ATOM 0 HB VAL B 70 31.379 -2.230 -13.401 1.00 10.00 H new ATOM 0 HG11 VAL B 70 32.173 -3.145 -15.545 1.00 10.00 H new ATOM 0 HG12 VAL B 70 33.219 -1.841 -14.935 1.00 10.00 H new ATOM 0 HG13 VAL B 70 33.736 -3.538 -14.789 1.00 10.00 H new ATOM 0 HG21 VAL B 70 30.920 -4.594 -13.986 1.00 10.00 H new ATOM 0 HG22 VAL B 70 32.385 -5.085 -13.104 1.00 10.00 H new ATOM 0 HG23 VAL B 70 31.025 -4.344 -12.227 1.00 10.00 H new ATOM 1638 N LEU B 71 35.033 -1.140 -12.891 1.00 10.00 N ATOM 1639 CA LEU B 71 35.752 0.110 -13.064 1.00 10.00 C ATOM 1640 C LEU B 71 35.620 0.612 -14.506 1.00 10.00 C ATOM 1641 O LEU B 71 36.102 -0.033 -15.438 1.00 10.00 O ATOM 1642 CB LEU B 71 37.232 -0.080 -12.692 1.00 10.00 C ATOM 1643 CG LEU B 71 37.828 1.071 -11.893 1.00 10.00 C ATOM 1644 CD1 LEU B 71 37.587 0.830 -10.393 1.00 10.00 C ATOM 1645 CD2 LEU B 71 39.344 1.332 -12.259 1.00 10.00 C ATOM 0 H LEU B 71 35.572 -1.973 -13.129 1.00 10.00 H new ATOM 0 HA LEU B 71 35.317 0.859 -12.402 1.00 10.00 H new ATOM 0 HB2 LEU B 71 37.335 -0.999 -12.115 1.00 10.00 H new ATOM 0 HB3 LEU B 71 37.811 -0.211 -13.606 1.00 10.00 H new ATOM 0 HG LEU B 71 37.320 1.996 -12.164 1.00 10.00 H new ATOM 0 HD11 LEU B 71 38.013 1.653 -9.819 1.00 10.00 H new ATOM 0 HD12 LEU B 71 36.516 0.771 -10.202 1.00 10.00 H new ATOM 0 HD13 LEU B 71 38.061 -0.105 -10.094 1.00 10.00 H new ATOM 0 HD21 LEU B 71 39.724 2.162 -11.663 1.00 10.00 H new ATOM 0 HD22 LEU B 71 39.929 0.436 -12.049 1.00 10.00 H new ATOM 0 HD23 LEU B 71 39.426 1.578 -13.318 1.00 10.00 H new