USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 760 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 Single : A 3 HIS : no HD1:sc= -0.47 K(o=-0.47,f=-6.7!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.08! C(o=-3.1!,f=-2.9!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.962 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 69:sc= 0.977 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= 0.382 (180deg=-1.53!) USER MOD Single : A 38 HIS : no HD1:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 43 SER OG : rot -106:sc= -1.12! USER MOD Single : A 44 THR OG1 : rot -1:sc= -0.815! USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.808) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.536 F(o=-1.5,f=-0.54) USER MOD Single : A 51 THR OG1 : rot -51:sc= -0.534 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 130:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc=-0.00828 (180deg=-0.132) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -144:sc= -0.433 (180deg=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.051 (180deg=-0.348) USER MOD Single : A 85 GLN : amide:sc= 0.121 X(o=0.12,f=-0.013) USER MOD Single : A 87 HIS : no HD1:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 88 MET CE :methyl -175:sc= -2.99 (180deg=-3.31) USER MOD Single : A 90 SER OG : rot -72:sc= 0.73 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 93 ASN : amide:sc= 0.49 K(o=0.49,f=-9.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -159:sc= -1.17 (180deg=-3.74!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.207 F(o=-0.9,f=-0.21) USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0223) USER MOD Single : A 102 MET CE :methyl 151:sc= -0.258 (180deg=-1.09) USER MOD Single : A 103 THR OG1 : rot 76:sc= 1.3 USER MOD Single : A 105 GLN : amide:sc= -0.915 X(o=-0.91,f=-1.1) USER MOD Single : A 106 GLN : amide:sc= -0.0605 X(o=-0.06,f=-0.18) USER MOD Single : A 109 SER OG : rot 81:sc= 0.443 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.401 -2.577 2.937 1.00 0.35 N ATOM 29 CA HIS A 3 13.889 -1.339 2.367 1.00 0.24 C ATOM 30 C HIS A 3 13.819 -1.385 0.845 1.00 0.16 C ATOM 31 O HIS A 3 13.637 -0.358 0.203 1.00 0.19 O ATOM 32 CB HIS A 3 14.778 -0.157 2.784 1.00 0.32 C ATOM 33 CG HIS A 3 14.414 0.504 4.083 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.464 -0.129 5.308 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.011 1.774 4.339 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.107 0.722 6.256 1.00 1.64 C ATOM 37 NE2 HIS A 3 13.828 1.881 5.692 1.00 1.85 N ATOM 0 HA HIS A 3 12.877 -1.212 2.751 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.808 -0.507 2.851 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.747 0.594 1.994 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.862 2.557 3.610 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.053 0.504 7.312 1.00 1.64 H new ATOM 0 HE2 HIS A 3 13.525 2.721 6.184 1.00 1.85 H new ATOM 46 N SER A 4 13.957 -2.558 0.266 1.00 0.14 N ATOM 47 CA SER A 4 13.937 -2.678 -1.184 1.00 0.13 C ATOM 48 C SER A 4 13.689 -4.122 -1.617 1.00 0.15 C ATOM 49 O SER A 4 14.203 -5.069 -1.016 1.00 0.24 O ATOM 50 CB SER A 4 15.234 -2.132 -1.789 1.00 0.17 C ATOM 51 OG SER A 4 16.379 -2.737 -1.208 1.00 0.95 O ATOM 0 H SER A 4 14.083 -3.437 0.767 1.00 0.14 H new ATOM 0 HA SER A 4 13.109 -2.078 -1.561 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.236 -2.307 -2.865 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.278 -1.053 -1.642 1.00 0.17 H new ATOM 0 HG SER A 4 17.188 -2.367 -1.618 1.00 0.95 H new ATOM 57 N GLY A 5 12.886 -4.272 -2.656 1.00 0.14 N ATOM 58 CA GLY A 5 12.537 -5.571 -3.175 1.00 0.15 C ATOM 59 C GLY A 5 11.690 -5.421 -4.413 1.00 0.15 C ATOM 60 O GLY A 5 11.010 -4.413 -4.567 1.00 0.16 O ATOM 0 H GLY A 5 12.461 -3.493 -3.159 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.441 -6.133 -3.409 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.994 -6.140 -2.420 1.00 0.15 H new ATOM 64 N ALA A 6 11.733 -6.392 -5.303 1.00 0.16 N ATOM 65 CA ALA A 6 11.019 -6.274 -6.566 1.00 0.17 C ATOM 66 C ALA A 6 9.504 -6.433 -6.373 1.00 0.21 C ATOM 67 O ALA A 6 9.059 -7.195 -5.511 1.00 0.43 O ATOM 68 CB ALA A 6 11.539 -7.283 -7.576 1.00 0.21 C ATOM 0 H ALA A 6 12.248 -7.264 -5.181 1.00 0.16 H new ATOM 0 HA ALA A 6 11.201 -5.272 -6.954 1.00 0.17 H new ATOM 0 HB1 ALA A 6 10.991 -7.176 -8.512 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.600 -7.106 -7.754 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.400 -8.292 -7.187 1.00 0.21 H new ATOM 74 N ALA A 7 8.721 -5.710 -7.172 1.00 0.11 N ATOM 75 CA ALA A 7 7.261 -5.791 -7.107 1.00 0.12 C ATOM 76 C ALA A 7 6.622 -5.468 -8.454 1.00 0.12 C ATOM 77 O ALA A 7 7.174 -4.730 -9.262 1.00 0.13 O ATOM 78 CB ALA A 7 6.703 -4.843 -6.052 1.00 0.12 C ATOM 0 H ALA A 7 9.074 -5.060 -7.874 1.00 0.11 H new ATOM 0 HA ALA A 7 7.016 -6.818 -6.835 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.616 -4.925 -6.027 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.109 -5.106 -5.075 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.984 -3.819 -6.298 1.00 0.12 H new ATOM 84 N ILE A 8 5.452 -6.028 -8.675 1.00 0.15 N ATOM 85 CA ILE A 8 4.648 -5.749 -9.854 1.00 0.19 C ATOM 86 C ILE A 8 3.660 -4.648 -9.524 1.00 0.22 C ATOM 87 O ILE A 8 2.893 -4.760 -8.573 1.00 0.26 O ATOM 88 CB ILE A 8 3.863 -7.004 -10.330 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.788 -8.084 -10.912 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.812 -6.612 -11.353 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.639 -8.804 -9.887 1.00 0.25 C ATOM 0 H ILE A 8 5.024 -6.698 -8.036 1.00 0.15 H new ATOM 0 HA ILE A 8 5.319 -5.446 -10.657 1.00 0.19 H new ATOM 0 HB ILE A 8 3.376 -7.430 -9.453 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.180 -8.818 -11.441 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.444 -7.623 -11.650 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.270 -7.501 -11.677 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.114 -5.905 -10.905 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.296 -6.148 -12.213 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.259 -9.548 -10.387 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.277 -8.085 -9.374 1.00 0.25 H new ATOM 0 HD13 ILE A 8 4.994 -9.299 -9.161 1.00 0.25 H new ATOM 103 N PHE A 9 3.682 -3.586 -10.298 1.00 0.28 N ATOM 104 CA PHE A 9 2.805 -2.467 -10.048 1.00 0.34 C ATOM 105 C PHE A 9 2.060 -2.091 -11.318 1.00 0.46 C ATOM 106 O PHE A 9 2.642 -1.516 -12.236 1.00 0.52 O ATOM 107 CB PHE A 9 3.613 -1.286 -9.508 1.00 0.35 C ATOM 108 CG PHE A 9 2.827 -0.030 -9.269 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.913 0.046 -8.234 1.00 0.40 C ATOM 110 CD2 PHE A 9 3.026 1.083 -10.067 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.210 1.212 -8.001 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.323 2.246 -9.842 1.00 0.56 C ATOM 113 CZ PHE A 9 1.413 2.312 -8.807 1.00 0.52 C ATOM 0 H PHE A 9 4.297 -3.475 -11.104 1.00 0.28 H new ATOM 0 HA PHE A 9 2.066 -2.747 -9.297 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.082 -1.586 -8.571 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.417 -1.065 -10.210 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.747 -0.814 -7.602 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.741 1.039 -10.875 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.501 1.262 -7.188 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.484 3.106 -10.475 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.861 3.223 -8.629 1.00 0.52 H new ATOM 123 N GLU A 10 0.777 -2.439 -11.361 1.00 0.58 N ATOM 124 CA GLU A 10 -0.068 -2.210 -12.530 1.00 0.73 C ATOM 125 C GLU A 10 0.387 -3.071 -13.698 1.00 0.64 C ATOM 126 O GLU A 10 0.671 -2.577 -14.793 1.00 0.67 O ATOM 127 CB GLU A 10 -0.089 -0.737 -12.920 1.00 0.87 C ATOM 128 CG GLU A 10 -0.586 0.169 -11.812 1.00 0.98 C ATOM 129 CD GLU A 10 -0.710 1.609 -12.259 1.00 1.21 C ATOM 130 OE1 GLU A 10 -1.778 1.986 -12.779 1.00 1.46 O ATOM 131 OE2 GLU A 10 0.268 2.370 -12.119 1.00 1.25 O ATOM 0 H GLU A 10 0.292 -2.889 -10.584 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.086 -2.497 -12.267 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.917 -0.430 -13.207 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -0.724 -0.609 -13.797 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.556 -0.186 -11.464 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.097 0.112 -10.965 1.00 0.98 H new ATOM 138 N LYS A 11 0.485 -4.361 -13.415 1.00 0.58 N ATOM 139 CA LYS A 11 0.720 -5.409 -14.414 1.00 0.55 C ATOM 140 C LYS A 11 2.140 -5.392 -14.985 1.00 0.49 C ATOM 141 O LYS A 11 2.528 -6.302 -15.715 1.00 0.56 O ATOM 142 CB LYS A 11 -0.321 -5.330 -15.528 1.00 0.65 C ATOM 143 CG LYS A 11 -1.734 -5.285 -14.982 1.00 0.74 C ATOM 144 CD LYS A 11 -2.098 -6.541 -14.231 1.00 1.29 C ATOM 145 CE LYS A 11 -3.150 -6.265 -13.177 1.00 1.32 C ATOM 146 NZ LYS A 11 -4.478 -5.953 -13.769 1.00 1.91 N ATOM 0 H LYS A 11 0.402 -4.723 -12.465 1.00 0.58 H new ATOM 0 HA LYS A 11 0.615 -6.363 -13.897 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.138 -4.442 -16.133 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.214 -6.192 -16.186 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -1.838 -4.425 -14.320 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.434 -5.140 -15.805 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.468 -7.291 -14.930 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.208 -6.957 -13.759 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.242 -7.132 -12.523 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -2.827 -5.430 -12.555 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -5.163 -5.772 -13.008 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -4.400 -5.110 -14.372 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -4.801 -6.759 -14.341 1.00 1.91 H new ATOM 160 N VAL A 12 2.917 -4.369 -14.656 1.00 0.44 N ATOM 161 CA VAL A 12 4.326 -4.342 -15.023 1.00 0.42 C ATOM 162 C VAL A 12 5.179 -4.767 -13.834 1.00 0.35 C ATOM 163 O VAL A 12 4.975 -4.301 -12.710 1.00 0.30 O ATOM 164 CB VAL A 12 4.787 -2.950 -15.536 1.00 0.47 C ATOM 165 CG1 VAL A 12 4.071 -1.832 -14.804 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.295 -2.803 -15.380 1.00 0.46 C ATOM 0 H VAL A 12 2.597 -3.550 -14.138 1.00 0.44 H new ATOM 0 HA VAL A 12 4.456 -5.044 -15.847 1.00 0.42 H new ATOM 0 HB VAL A 12 4.532 -2.878 -16.593 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.414 -0.870 -15.184 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.996 -1.923 -14.963 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.287 -1.898 -13.738 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.605 -1.823 -15.743 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.563 -2.901 -14.328 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.798 -3.579 -15.957 1.00 0.46 H new ATOM 176 N SER A 13 6.117 -5.662 -14.085 1.00 0.35 N ATOM 177 CA SER A 13 7.002 -6.146 -13.044 1.00 0.30 C ATOM 178 C SER A 13 8.185 -5.202 -12.889 1.00 0.28 C ATOM 179 O SER A 13 8.898 -4.913 -13.852 1.00 0.40 O ATOM 180 CB SER A 13 7.474 -7.564 -13.370 1.00 0.34 C ATOM 181 OG SER A 13 8.203 -8.128 -12.291 1.00 1.02 O ATOM 0 H SER A 13 6.285 -6.069 -15.005 1.00 0.35 H new ATOM 0 HA SER A 13 6.460 -6.177 -12.099 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.613 -8.192 -13.597 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.099 -7.545 -14.263 1.00 0.34 H new ATOM 0 HG SER A 13 8.490 -9.035 -12.528 1.00 1.02 H new ATOM 187 N GLY A 14 8.374 -4.710 -11.679 1.00 0.16 N ATOM 188 CA GLY A 14 9.436 -3.777 -11.419 1.00 0.14 C ATOM 189 C GLY A 14 10.043 -3.969 -10.055 1.00 0.12 C ATOM 190 O GLY A 14 9.990 -5.059 -9.493 1.00 0.14 O ATOM 0 H GLY A 14 7.803 -4.945 -10.867 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.210 -3.890 -12.178 1.00 0.14 H new ATOM 0 HA3 GLY A 14 9.052 -2.760 -11.504 1.00 0.14 H new ATOM 194 N ILE A 15 10.626 -2.915 -9.527 1.00 0.11 N ATOM 195 CA ILE A 15 11.292 -2.969 -8.246 1.00 0.12 C ATOM 196 C ILE A 15 10.734 -1.914 -7.315 1.00 0.10 C ATOM 197 O ILE A 15 10.229 -0.897 -7.752 1.00 0.08 O ATOM 198 CB ILE A 15 12.808 -2.750 -8.382 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.369 -3.557 -9.550 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.534 -3.118 -7.096 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.388 -5.052 -9.358 1.00 0.19 C ATOM 0 H ILE A 15 10.651 -1.998 -9.973 1.00 0.11 H new ATOM 0 HA ILE A 15 11.115 -3.964 -7.838 1.00 0.12 H new ATOM 0 HB ILE A 15 12.972 -1.690 -8.577 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.782 -3.330 -10.440 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.387 -3.221 -9.745 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.604 -2.953 -7.222 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.165 -2.497 -6.279 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.354 -4.168 -6.864 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.805 -5.528 -10.246 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.001 -5.300 -8.492 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.371 -5.411 -9.198 1.00 0.19 H new ATOM 213 N ILE A 16 10.825 -2.176 -6.038 1.00 0.13 N ATOM 214 CA ILE A 16 10.364 -1.254 -5.023 1.00 0.11 C ATOM 215 C ILE A 16 11.498 -0.930 -4.065 1.00 0.12 C ATOM 216 O ILE A 16 12.217 -1.819 -3.610 1.00 0.15 O ATOM 217 CB ILE A 16 9.153 -1.835 -4.259 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.916 -1.004 -4.561 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.393 -1.881 -2.755 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.649 -1.580 -3.981 1.00 0.16 C ATOM 0 H ILE A 16 11.223 -3.039 -5.666 1.00 0.13 H new ATOM 0 HA ILE A 16 10.041 -0.334 -5.510 1.00 0.11 H new ATOM 0 HB ILE A 16 9.006 -2.861 -4.597 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.060 0.003 -4.170 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.803 -0.914 -5.641 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.516 -2.296 -2.259 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.260 -2.507 -2.544 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.576 -0.872 -2.385 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.807 -0.936 -4.235 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.481 -2.576 -4.391 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.742 -1.645 -2.897 1.00 0.16 H new ATOM 232 N ALA A 17 11.687 0.346 -3.804 1.00 0.10 N ATOM 233 CA ALA A 17 12.696 0.773 -2.860 1.00 0.10 C ATOM 234 C ALA A 17 12.170 1.861 -1.937 1.00 0.08 C ATOM 235 O ALA A 17 11.917 2.983 -2.361 1.00 0.08 O ATOM 236 CB ALA A 17 13.935 1.243 -3.596 1.00 0.12 C ATOM 0 H ALA A 17 11.156 1.104 -4.232 1.00 0.10 H new ATOM 0 HA ALA A 17 12.961 -0.082 -2.238 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.688 1.562 -2.875 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.333 0.426 -4.198 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.677 2.080 -4.245 1.00 0.12 H new ATOM 242 N ILE A 18 12.007 1.516 -0.679 1.00 0.08 N ATOM 243 CA ILE A 18 11.669 2.479 0.344 1.00 0.08 C ATOM 244 C ILE A 18 12.951 3.127 0.820 1.00 0.09 C ATOM 245 O ILE A 18 13.839 2.448 1.328 1.00 0.18 O ATOM 246 CB ILE A 18 11.019 1.854 1.586 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.870 0.917 1.209 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.541 2.961 2.523 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.302 -0.507 0.963 1.00 0.12 C ATOM 0 H ILE A 18 12.105 0.560 -0.337 1.00 0.08 H new ATOM 0 HA ILE A 18 10.960 3.175 -0.104 1.00 0.08 H new ATOM 0 HB ILE A 18 11.765 1.249 2.101 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.127 0.929 2.007 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.381 1.299 0.313 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.079 2.517 3.405 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.391 3.572 2.827 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.811 3.585 2.007 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.433 -1.111 0.701 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.022 -0.533 0.145 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.764 -0.908 1.865 1.00 0.12 H new ATOM 261 N ASN A 19 13.060 4.415 0.658 1.00 0.13 N ATOM 262 CA ASN A 19 14.259 5.111 1.053 1.00 0.18 C ATOM 263 C ASN A 19 13.925 6.176 2.051 1.00 0.20 C ATOM 264 O ASN A 19 13.081 7.028 1.785 1.00 0.21 O ATOM 265 CB ASN A 19 14.938 5.718 -0.182 1.00 0.22 C ATOM 266 CG ASN A 19 15.850 6.887 0.149 1.00 0.43 C ATOM 267 OD1 ASN A 19 17.024 6.709 0.463 1.00 1.12 O ATOM 268 ND2 ASN A 19 15.311 8.097 0.065 1.00 0.29 N ATOM 0 H ASN A 19 12.334 5.008 0.255 1.00 0.13 H new ATOM 0 HA ASN A 19 14.949 4.407 1.518 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.518 4.945 -0.686 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.172 6.050 -0.883 1.00 0.22 H new ATOM 0 HD21 ASN A 19 15.876 8.922 0.265 1.00 0.29 H new ATOM 0 HD22 ASN A 19 14.331 8.202 -0.199 1.00 0.29 H new ATOM 275 N GLU A 20 14.542 6.134 3.223 1.00 0.24 N ATOM 276 CA GLU A 20 14.491 7.311 4.027 1.00 0.28 C ATOM 277 C GLU A 20 15.884 7.935 4.018 1.00 0.34 C ATOM 278 O GLU A 20 16.695 7.722 4.920 1.00 0.40 O ATOM 279 CB GLU A 20 14.123 6.930 5.461 1.00 0.33 C ATOM 280 CG GLU A 20 12.937 5.995 5.558 1.00 0.33 C ATOM 281 CD GLU A 20 12.850 5.309 6.901 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.518 5.981 7.899 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.129 4.093 6.966 1.00 0.74 O ATOM 0 H GLU A 20 15.052 5.339 3.609 1.00 0.24 H new ATOM 0 HA GLU A 20 13.749 8.009 3.640 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.985 6.460 5.935 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.906 7.838 6.024 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.020 6.557 5.380 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.007 5.242 4.773 1.00 0.33 H new ATOM 290 N ASP A 21 16.139 8.697 2.974 1.00 0.35 N ATOM 291 CA ASP A 21 17.149 9.743 2.927 1.00 0.41 C ATOM 292 C ASP A 21 16.420 11.025 2.593 1.00 0.41 C ATOM 293 O ASP A 21 16.937 12.138 2.679 1.00 0.46 O ATOM 294 CB ASP A 21 18.216 9.403 1.876 1.00 0.44 C ATOM 295 CG ASP A 21 19.158 10.552 1.573 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.074 10.810 2.381 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.002 11.187 0.508 1.00 0.53 O ATOM 0 H ASP A 21 15.628 8.603 2.096 1.00 0.35 H new ATOM 0 HA ASP A 21 17.673 9.844 3.877 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.798 8.549 2.224 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.721 9.097 0.954 1.00 0.44 H new ATOM 302 N VAL A 22 15.169 10.802 2.235 1.00 0.35 N ATOM 303 CA VAL A 22 14.385 11.713 1.429 1.00 0.33 C ATOM 304 C VAL A 22 13.400 12.522 2.280 1.00 0.31 C ATOM 305 O VAL A 22 13.311 12.332 3.498 1.00 0.30 O ATOM 306 CB VAL A 22 13.619 10.830 0.396 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.644 9.908 1.105 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.893 11.620 -0.674 1.00 0.32 C ATOM 0 H VAL A 22 14.659 9.961 2.505 1.00 0.35 H new ATOM 0 HA VAL A 22 15.031 12.441 0.938 1.00 0.33 H new ATOM 0 HB VAL A 22 14.384 10.248 -0.118 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.118 9.299 0.369 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.190 9.259 1.790 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.923 10.503 1.666 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.386 10.934 -1.352 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.159 12.277 -0.207 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.611 12.219 -1.234 1.00 0.32 H new ATOM 318 N SER A 23 12.696 13.446 1.627 1.00 0.32 N ATOM 319 CA SER A 23 11.522 14.106 2.193 1.00 0.28 C ATOM 320 C SER A 23 10.564 12.994 2.621 1.00 0.18 C ATOM 321 O SER A 23 10.765 11.875 2.169 1.00 0.16 O ATOM 322 CB SER A 23 10.895 15.031 1.140 1.00 0.35 C ATOM 323 OG SER A 23 10.392 16.224 1.723 1.00 1.31 O ATOM 0 H SER A 23 12.927 13.759 0.684 1.00 0.32 H new ATOM 0 HA SER A 23 11.772 14.730 3.051 1.00 0.28 H new ATOM 0 HB2 SER A 23 11.640 15.281 0.385 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.087 14.507 0.629 1.00 0.35 H new ATOM 0 HG SER A 23 10.002 16.790 1.025 1.00 1.31 H new ATOM 329 N PRO A 24 9.488 13.235 3.412 1.00 0.16 N ATOM 330 CA PRO A 24 8.921 12.189 4.288 1.00 0.16 C ATOM 331 C PRO A 24 8.863 10.849 3.580 1.00 0.15 C ATOM 332 O PRO A 24 8.304 10.747 2.484 1.00 0.22 O ATOM 333 CB PRO A 24 7.501 12.707 4.554 1.00 0.21 C ATOM 334 CG PRO A 24 7.291 13.768 3.533 1.00 0.19 C ATOM 335 CD PRO A 24 8.631 14.422 3.412 1.00 0.17 C ATOM 0 HA PRO A 24 9.511 12.024 5.190 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.764 11.910 4.455 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.407 13.105 5.564 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.964 13.348 2.582 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.527 14.479 3.847 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.729 15.008 2.498 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.845 15.092 4.245 1.00 0.17 H new ATOM 343 N ALA A 25 9.422 9.838 4.265 1.00 0.15 N ATOM 344 CA ALA A 25 9.917 8.605 3.643 1.00 0.14 C ATOM 345 C ALA A 25 9.178 8.205 2.389 1.00 0.14 C ATOM 346 O ALA A 25 7.947 8.155 2.351 1.00 0.18 O ATOM 347 CB ALA A 25 9.913 7.455 4.620 1.00 0.20 C ATOM 0 H ALA A 25 9.543 9.857 5.278 1.00 0.15 H new ATOM 0 HA ALA A 25 10.940 8.835 3.346 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.285 6.557 4.127 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.554 7.696 5.468 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.896 7.280 4.972 1.00 0.20 H new ATOM 353 N GLU A 26 9.947 7.859 1.384 1.00 0.14 N ATOM 354 CA GLU A 26 9.407 7.624 0.079 1.00 0.15 C ATOM 355 C GLU A 26 9.772 6.240 -0.428 1.00 0.11 C ATOM 356 O GLU A 26 10.880 5.747 -0.224 1.00 0.13 O ATOM 357 CB GLU A 26 9.829 8.717 -0.926 1.00 0.27 C ATOM 358 CG GLU A 26 8.962 9.964 -0.841 1.00 0.66 C ATOM 359 CD GLU A 26 9.318 11.015 -1.875 1.00 0.71 C ATOM 360 OE1 GLU A 26 8.972 10.833 -3.061 1.00 1.26 O ATOM 361 OE2 GLU A 26 9.958 12.022 -1.514 1.00 1.14 O ATOM 0 H GLU A 26 10.957 7.735 1.453 1.00 0.14 H new ATOM 0 HA GLU A 26 8.322 7.672 0.169 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.868 8.990 -0.744 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.778 8.313 -1.937 1.00 0.27 H new ATOM 0 HG2 GLU A 26 7.917 9.681 -0.966 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.058 10.397 0.155 1.00 0.66 H new ATOM 368 N LEU A 27 8.809 5.629 -1.075 1.00 0.10 N ATOM 369 CA LEU A 27 8.977 4.359 -1.743 1.00 0.09 C ATOM 370 C LEU A 27 9.155 4.661 -3.193 1.00 0.09 C ATOM 371 O LEU A 27 8.508 5.552 -3.720 1.00 0.13 O ATOM 372 CB LEU A 27 7.707 3.529 -1.552 1.00 0.11 C ATOM 373 CG LEU A 27 7.549 2.242 -2.386 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.413 1.454 -1.814 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.230 2.516 -3.855 1.00 0.11 C ATOM 0 H LEU A 27 7.866 6.009 -1.154 1.00 0.10 H new ATOM 0 HA LEU A 27 9.828 3.805 -1.347 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.643 3.254 -0.499 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.853 4.172 -1.766 1.00 0.11 H new ATOM 0 HG LEU A 27 8.498 1.708 -2.344 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.281 0.537 -2.388 1.00 0.15 H new ATOM 0 HD12 LEU A 27 6.630 1.204 -0.776 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.499 2.046 -1.861 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.131 1.571 -4.388 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.296 3.073 -3.927 1.00 0.11 H new ATOM 0 HD23 LEU A 27 8.036 3.101 -4.299 1.00 0.11 H new ATOM 387 N THR A 28 9.993 3.921 -3.846 1.00 0.08 N ATOM 388 CA THR A 28 10.229 4.162 -5.234 1.00 0.09 C ATOM 389 C THR A 28 10.089 2.871 -6.010 1.00 0.08 C ATOM 390 O THR A 28 10.925 1.974 -5.903 1.00 0.10 O ATOM 391 CB THR A 28 11.626 4.763 -5.451 1.00 0.14 C ATOM 392 OG1 THR A 28 11.907 5.716 -4.415 1.00 0.21 O ATOM 393 CG2 THR A 28 11.703 5.443 -6.803 1.00 0.14 C ATOM 0 H THR A 28 10.523 3.148 -3.443 1.00 0.08 H new ATOM 0 HA THR A 28 9.490 4.878 -5.594 1.00 0.09 H new ATOM 0 HB THR A 28 12.363 3.961 -5.419 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.799 6.097 -4.554 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.699 5.864 -6.942 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.504 4.714 -7.589 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.962 6.241 -6.852 1.00 0.14 H new ATOM 401 N TRP A 29 9.015 2.763 -6.762 1.00 0.08 N ATOM 402 CA TRP A 29 8.815 1.604 -7.602 1.00 0.08 C ATOM 403 C TRP A 29 9.396 1.885 -8.970 1.00 0.08 C ATOM 404 O TRP A 29 8.919 2.741 -9.697 1.00 0.12 O ATOM 405 CB TRP A 29 7.338 1.214 -7.709 1.00 0.11 C ATOM 406 CG TRP A 29 7.121 0.034 -8.612 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.189 -1.290 -8.281 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.821 0.080 -10.007 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.955 -2.066 -9.390 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.726 -1.248 -10.462 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.623 1.119 -10.914 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.446 -1.558 -11.786 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.343 0.811 -12.223 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.257 -0.518 -12.651 1.00 0.24 C ATOM 0 H TRP A 29 8.271 3.460 -6.809 1.00 0.08 H new ATOM 0 HA TRP A 29 9.327 0.756 -7.147 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.953 0.983 -6.716 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.767 2.064 -8.083 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.396 -1.671 -7.292 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.952 -3.086 -9.411 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.689 2.148 -10.594 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.380 -2.583 -12.119 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.187 1.609 -12.934 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.036 -0.726 -13.688 1.00 0.24 H new ATOM 425 N ARG A 30 10.433 1.169 -9.297 1.00 0.10 N ATOM 426 CA ARG A 30 11.140 1.364 -10.537 1.00 0.12 C ATOM 427 C ARG A 30 11.119 0.076 -11.339 1.00 0.13 C ATOM 428 O ARG A 30 11.557 -0.951 -10.846 1.00 0.15 O ATOM 429 CB ARG A 30 12.572 1.786 -10.219 1.00 0.15 C ATOM 430 CG ARG A 30 13.475 1.829 -11.428 1.00 0.21 C ATOM 431 CD ARG A 30 14.463 0.677 -11.400 1.00 0.32 C ATOM 432 NE ARG A 30 15.231 0.567 -12.640 1.00 0.33 N ATOM 433 CZ ARG A 30 15.915 -0.519 -12.997 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.962 -1.573 -12.192 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.575 -0.539 -14.149 1.00 0.51 N ATOM 0 H ARG A 30 10.817 0.428 -8.710 1.00 0.10 H new ATOM 0 HA ARG A 30 10.663 2.143 -11.132 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.556 2.771 -9.753 1.00 0.15 H new ATOM 0 HB3 ARG A 30 12.991 1.095 -9.488 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.876 1.779 -12.337 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.014 2.776 -11.452 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.148 0.811 -10.563 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.925 -0.255 -11.226 1.00 0.32 H new ATOM 0 HE ARG A 30 15.244 1.370 -13.269 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.473 -1.553 -11.297 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.487 -2.403 -12.468 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.558 0.277 -14.761 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.099 -1.370 -14.422 1.00 0.51 H new ATOM 449 N SER A 31 10.629 0.132 -12.573 1.00 0.16 N ATOM 450 CA SER A 31 10.506 -1.063 -13.393 1.00 0.18 C ATOM 451 C SER A 31 11.857 -1.745 -13.514 1.00 0.20 C ATOM 452 O SER A 31 12.882 -1.082 -13.626 1.00 0.24 O ATOM 453 CB SER A 31 9.986 -0.694 -14.782 1.00 0.28 C ATOM 454 OG SER A 31 8.761 0.008 -14.703 1.00 0.75 O ATOM 0 H SER A 31 10.312 0.990 -13.024 1.00 0.16 H new ATOM 0 HA SER A 31 9.800 -1.746 -12.920 1.00 0.18 H new ATOM 0 HB2 SER A 31 10.725 -0.082 -15.299 1.00 0.28 H new ATOM 0 HB3 SER A 31 9.851 -1.599 -15.374 1.00 0.28 H new ATOM 0 HG SER A 31 8.916 0.894 -14.315 1.00 0.75 H new ATOM 460 N THR A 32 11.840 -3.069 -13.479 1.00 0.20 N ATOM 461 CA THR A 32 13.059 -3.868 -13.543 1.00 0.26 C ATOM 462 C THR A 32 13.871 -3.510 -14.789 1.00 0.30 C ATOM 463 O THR A 32 15.100 -3.516 -14.773 1.00 0.38 O ATOM 464 CB THR A 32 12.724 -5.369 -13.568 1.00 0.31 C ATOM 465 OG1 THR A 32 11.817 -5.677 -12.502 1.00 0.31 O ATOM 466 CG2 THR A 32 13.984 -6.209 -13.416 1.00 0.39 C ATOM 0 H THR A 32 10.985 -3.620 -13.406 1.00 0.20 H new ATOM 0 HA THR A 32 13.650 -3.649 -12.654 1.00 0.26 H new ATOM 0 HB THR A 32 12.263 -5.602 -14.528 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.603 -6.633 -12.520 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.721 -7.267 -13.437 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.669 -5.989 -14.235 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.466 -5.974 -12.467 1.00 0.39 H new ATOM 474 N ASP A 33 13.157 -3.181 -15.862 1.00 0.32 N ATOM 475 CA ASP A 33 13.761 -2.805 -17.121 1.00 0.39 C ATOM 476 C ASP A 33 14.067 -1.310 -17.163 1.00 0.37 C ATOM 477 O ASP A 33 14.623 -0.806 -18.139 1.00 0.44 O ATOM 478 CB ASP A 33 12.807 -3.164 -18.255 1.00 0.52 C ATOM 479 CG ASP A 33 12.569 -4.655 -18.376 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.396 -5.346 -19.005 1.00 2.07 O ATOM 481 OD2 ASP A 33 11.552 -5.147 -17.843 1.00 2.33 O ATOM 0 H ASP A 33 12.137 -3.170 -15.875 1.00 0.32 H new ATOM 0 HA ASP A 33 14.701 -3.345 -17.232 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.854 -2.661 -18.094 1.00 0.52 H new ATOM 0 HB3 ASP A 33 13.211 -2.788 -19.195 1.00 0.52 H new ATOM 486 N GLY A 34 13.683 -0.602 -16.108 1.00 0.36 N ATOM 487 CA GLY A 34 13.933 0.825 -16.028 1.00 0.37 C ATOM 488 C GLY A 34 12.946 1.638 -16.838 1.00 0.42 C ATOM 489 O GLY A 34 13.214 2.791 -17.171 1.00 0.55 O ATOM 0 H GLY A 34 13.199 -0.994 -15.300 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.887 1.140 -14.985 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.944 1.033 -16.380 1.00 0.37 H new ATOM 493 N ASP A 35 11.804 1.040 -17.155 1.00 0.45 N ATOM 494 CA ASP A 35 10.805 1.703 -17.985 1.00 0.55 C ATOM 495 C ASP A 35 10.100 2.832 -17.238 1.00 0.46 C ATOM 496 O ASP A 35 10.369 4.009 -17.483 1.00 0.74 O ATOM 497 CB ASP A 35 9.783 0.703 -18.507 1.00 0.73 C ATOM 498 CG ASP A 35 8.831 1.332 -19.503 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.272 1.647 -20.628 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.644 1.521 -19.167 1.00 0.92 O ATOM 0 H ASP A 35 11.547 0.101 -16.851 1.00 0.45 H new ATOM 0 HA ASP A 35 11.334 2.142 -18.830 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.301 -0.132 -18.978 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.215 0.295 -17.671 1.00 0.73 H new ATOM 505 N LYS A 36 9.208 2.479 -16.327 1.00 0.34 N ATOM 506 CA LYS A 36 8.445 3.482 -15.594 1.00 0.34 C ATOM 507 C LYS A 36 8.762 3.428 -14.097 1.00 0.27 C ATOM 508 O LYS A 36 9.169 2.387 -13.571 1.00 0.34 O ATOM 509 CB LYS A 36 6.936 3.315 -15.849 1.00 0.55 C ATOM 510 CG LYS A 36 6.338 2.029 -15.309 1.00 0.92 C ATOM 511 CD LYS A 36 6.043 1.025 -16.404 1.00 0.90 C ATOM 512 CE LYS A 36 4.819 1.416 -17.204 1.00 1.25 C ATOM 513 NZ LYS A 36 5.146 2.295 -18.361 1.00 2.03 N ATOM 0 H LYS A 36 8.994 1.514 -16.077 1.00 0.34 H new ATOM 0 HA LYS A 36 8.740 4.465 -15.960 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.411 4.159 -15.402 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.756 3.360 -16.923 1.00 0.55 H new ATOM 0 HG2 LYS A 36 7.026 1.586 -14.589 1.00 0.92 H new ATOM 0 HG3 LYS A 36 5.418 2.257 -14.771 1.00 0.92 H new ATOM 0 HD2 LYS A 36 6.903 0.948 -17.069 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.891 0.040 -15.964 1.00 0.90 H new ATOM 0 HE2 LYS A 36 4.323 0.515 -17.566 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.112 1.929 -16.552 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 4.491 2.097 -19.144 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 5.055 3.291 -18.077 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 6.122 2.112 -18.671 1.00 2.03 H new ATOM 527 N VAL A 37 8.596 4.559 -13.421 1.00 0.22 N ATOM 528 CA VAL A 37 8.931 4.678 -12.002 1.00 0.21 C ATOM 529 C VAL A 37 7.786 5.349 -11.230 1.00 0.22 C ATOM 530 O VAL A 37 7.282 6.393 -11.643 1.00 0.32 O ATOM 531 CB VAL A 37 10.220 5.512 -11.800 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.569 5.628 -10.325 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.385 4.910 -12.575 1.00 0.55 C ATOM 0 H VAL A 37 8.228 5.415 -13.835 1.00 0.22 H new ATOM 0 HA VAL A 37 9.092 3.669 -11.622 1.00 0.21 H new ATOM 0 HB VAL A 37 10.031 6.513 -12.187 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.478 6.218 -10.212 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.751 6.116 -9.795 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.728 4.633 -9.909 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.278 5.514 -12.417 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.568 3.894 -12.226 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.144 4.891 -13.638 1.00 0.55 H new ATOM 543 N HIS A 38 7.368 4.742 -10.125 1.00 0.17 N ATOM 544 CA HIS A 38 6.349 5.327 -9.264 1.00 0.19 C ATOM 545 C HIS A 38 6.876 5.497 -7.847 1.00 0.17 C ATOM 546 O HIS A 38 7.053 4.521 -7.124 1.00 0.17 O ATOM 547 CB HIS A 38 5.102 4.450 -9.221 1.00 0.25 C ATOM 548 CG HIS A 38 3.973 5.054 -8.428 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.896 5.664 -9.025 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.764 5.161 -7.082 1.00 0.56 C ATOM 551 CE1 HIS A 38 2.079 6.122 -8.099 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.578 5.834 -6.907 1.00 0.69 N ATOM 0 H HIS A 38 7.722 3.841 -9.804 1.00 0.17 H new ATOM 0 HA HIS A 38 6.092 6.301 -9.679 1.00 0.19 H new ATOM 0 HB2 HIS A 38 4.762 4.265 -10.240 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.362 3.483 -8.791 1.00 0.25 H new ATOM 0 HD2 HIS A 38 4.410 4.787 -6.301 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.153 6.647 -8.282 1.00 0.67 H new ATOM 0 HE2 HIS A 38 2.154 6.071 -6.010 1.00 0.69 H new ATOM 561 N THR A 39 7.097 6.729 -7.444 1.00 0.18 N ATOM 562 CA THR A 39 7.502 7.008 -6.080 1.00 0.17 C ATOM 563 C THR A 39 6.267 7.352 -5.236 1.00 0.19 C ATOM 564 O THR A 39 5.370 8.046 -5.713 1.00 0.30 O ATOM 565 CB THR A 39 8.496 8.182 -6.038 1.00 0.22 C ATOM 566 OG1 THR A 39 9.485 8.022 -7.065 1.00 0.23 O ATOM 567 CG2 THR A 39 9.180 8.263 -4.683 1.00 0.23 C ATOM 0 H THR A 39 7.004 7.553 -8.038 1.00 0.18 H new ATOM 0 HA THR A 39 7.990 6.122 -5.675 1.00 0.17 H new ATOM 0 HB THR A 39 7.941 9.105 -6.205 1.00 0.22 H new ATOM 0 HG1 THR A 39 10.113 8.773 -7.034 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.878 9.100 -4.677 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.431 8.410 -3.905 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.723 7.337 -4.493 1.00 0.23 H new ATOM 575 N VAL A 40 6.195 6.850 -4.006 1.00 0.13 N ATOM 576 CA VAL A 40 5.064 7.176 -3.133 1.00 0.18 C ATOM 577 C VAL A 40 5.532 7.680 -1.757 1.00 0.11 C ATOM 578 O VAL A 40 6.495 7.162 -1.191 1.00 0.11 O ATOM 579 CB VAL A 40 4.095 5.975 -2.974 1.00 0.30 C ATOM 580 CG1 VAL A 40 4.694 4.887 -2.157 1.00 0.47 C ATOM 581 CG2 VAL A 40 2.762 6.412 -2.397 1.00 0.66 C ATOM 0 H VAL A 40 6.890 6.227 -3.594 1.00 0.13 H new ATOM 0 HA VAL A 40 4.518 7.985 -3.618 1.00 0.18 H new ATOM 0 HB VAL A 40 3.916 5.576 -3.972 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.984 4.065 -2.069 1.00 0.47 H new ATOM 0 HG12 VAL A 40 5.605 4.530 -2.638 1.00 0.47 H new ATOM 0 HG13 VAL A 40 4.933 5.267 -1.164 1.00 0.47 H new ATOM 0 HG21 VAL A 40 2.107 5.546 -2.299 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.920 6.861 -1.416 1.00 0.66 H new ATOM 0 HG23 VAL A 40 2.300 7.143 -3.061 1.00 0.66 H new ATOM 591 N VAL A 41 4.853 8.709 -1.239 1.00 0.10 N ATOM 592 CA VAL A 41 5.203 9.320 0.041 1.00 0.10 C ATOM 593 C VAL A 41 4.463 8.632 1.176 1.00 0.08 C ATOM 594 O VAL A 41 3.246 8.745 1.308 1.00 0.09 O ATOM 595 CB VAL A 41 4.885 10.835 0.074 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.346 11.463 1.389 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.520 11.542 -1.112 1.00 0.18 C ATOM 0 H VAL A 41 4.048 9.138 -1.696 1.00 0.10 H new ATOM 0 HA VAL A 41 6.279 9.196 0.166 1.00 0.10 H new ATOM 0 HB VAL A 41 3.804 10.955 0.005 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.111 12.527 1.386 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.834 10.981 2.222 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.422 11.330 1.498 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.285 12.605 -1.070 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.601 11.408 -1.079 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.130 11.120 -2.038 1.00 0.18 H new ATOM 607 N LEU A 42 5.220 7.925 1.979 1.00 0.08 N ATOM 608 CA LEU A 42 4.709 7.185 3.133 1.00 0.09 C ATOM 609 C LEU A 42 3.897 8.063 4.081 1.00 0.10 C ATOM 610 O LEU A 42 3.008 7.575 4.766 1.00 0.12 O ATOM 611 CB LEU A 42 5.864 6.554 3.908 1.00 0.10 C ATOM 612 CG LEU A 42 6.413 5.239 3.349 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.481 4.110 3.730 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.590 5.288 1.836 1.00 0.10 C ATOM 0 H LEU A 42 6.229 7.839 1.856 1.00 0.08 H new ATOM 0 HA LEU A 42 4.047 6.413 2.740 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.681 7.275 3.953 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.535 6.380 4.932 1.00 0.10 H new ATOM 0 HG LEU A 42 7.400 5.072 3.781 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.867 3.170 3.334 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.412 4.046 4.816 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.491 4.299 3.314 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.982 4.333 1.484 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.627 5.482 1.363 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.288 6.084 1.577 1.00 0.10 H new ATOM 626 N SER A 43 4.207 9.350 4.135 1.00 0.12 N ATOM 627 CA SER A 43 3.476 10.254 5.012 1.00 0.15 C ATOM 628 C SER A 43 2.117 10.621 4.421 1.00 0.14 C ATOM 629 O SER A 43 1.148 10.808 5.156 1.00 0.17 O ATOM 630 CB SER A 43 4.291 11.502 5.296 1.00 0.20 C ATOM 631 OG SER A 43 5.473 11.170 5.997 1.00 1.06 O ATOM 0 H SER A 43 4.950 9.788 3.590 1.00 0.12 H new ATOM 0 HA SER A 43 3.301 9.735 5.954 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.544 12.000 4.360 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.699 12.205 5.881 1.00 0.20 H new ATOM 0 HG SER A 43 5.386 11.444 6.934 1.00 1.06 H new ATOM 637 N THR A 44 2.051 10.727 3.095 1.00 0.13 N ATOM 638 CA THR A 44 0.776 10.932 2.420 1.00 0.14 C ATOM 639 C THR A 44 -0.007 9.625 2.406 1.00 0.13 C ATOM 640 O THR A 44 -1.191 9.588 2.074 1.00 0.18 O ATOM 641 CB THR A 44 0.960 11.460 0.979 1.00 0.16 C ATOM 642 OG1 THR A 44 1.774 10.565 0.213 1.00 0.17 O ATOM 643 CG2 THR A 44 1.601 12.838 0.989 1.00 0.20 C ATOM 0 H THR A 44 2.858 10.675 2.474 1.00 0.13 H new ATOM 0 HA THR A 44 0.221 11.691 2.972 1.00 0.14 H new ATOM 0 HB THR A 44 -0.027 11.528 0.521 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.059 9.817 0.778 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.721 13.191 -0.035 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.965 13.531 1.539 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.577 12.782 1.470 1.00 0.20 H new ATOM 651 N ILE A 45 0.688 8.554 2.753 1.00 0.11 N ATOM 652 CA ILE A 45 0.080 7.264 2.984 1.00 0.12 C ATOM 653 C ILE A 45 -0.513 7.190 4.394 1.00 0.16 C ATOM 654 O ILE A 45 0.175 7.414 5.388 1.00 0.23 O ATOM 655 CB ILE A 45 1.116 6.139 2.810 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.696 6.133 1.394 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.485 4.805 3.106 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.681 5.810 0.312 1.00 0.10 C ATOM 0 H ILE A 45 1.700 8.561 2.882 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.718 7.136 2.253 1.00 0.12 H new ATOM 0 HB ILE A 45 1.930 6.321 3.512 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.133 7.110 1.188 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.506 5.405 1.347 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.226 4.016 2.980 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.117 4.796 4.132 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.346 4.635 2.421 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.170 5.826 -0.662 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.261 4.820 0.491 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.117 6.552 0.329 1.00 0.10 H new ATOM 670 N ASP A 46 -1.804 6.900 4.461 1.00 0.16 N ATOM 671 CA ASP A 46 -2.509 6.727 5.722 1.00 0.22 C ATOM 672 C ASP A 46 -2.155 5.390 6.367 1.00 0.22 C ATOM 673 O ASP A 46 -1.827 5.332 7.550 1.00 0.28 O ATOM 674 CB ASP A 46 -4.019 6.798 5.495 1.00 0.28 C ATOM 675 CG ASP A 46 -4.798 6.821 6.795 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.509 7.684 7.648 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.699 5.973 6.974 1.00 0.61 O ATOM 0 H ASP A 46 -2.394 6.778 3.638 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.202 7.530 6.392 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.255 7.692 4.917 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.335 5.941 4.900 1.00 0.28 H new ATOM 682 N LYS A 47 -2.224 4.318 5.576 1.00 0.21 N ATOM 683 CA LYS A 47 -1.963 2.962 6.072 1.00 0.27 C ATOM 684 C LYS A 47 -1.215 2.155 5.023 1.00 0.18 C ATOM 685 O LYS A 47 -1.167 2.531 3.860 1.00 0.20 O ATOM 686 CB LYS A 47 -3.270 2.218 6.388 1.00 0.41 C ATOM 687 CG LYS A 47 -4.204 2.948 7.341 1.00 1.07 C ATOM 688 CD LYS A 47 -3.599 3.063 8.726 1.00 1.01 C ATOM 689 CE LYS A 47 -4.563 3.692 9.714 1.00 1.60 C ATOM 690 NZ LYS A 47 -4.856 5.112 9.392 1.00 1.95 N ATOM 0 H LYS A 47 -2.459 4.361 4.584 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.370 3.062 6.981 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.800 2.031 5.454 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.024 1.246 6.816 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.419 3.943 6.952 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.154 2.417 7.400 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.311 2.073 9.080 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -2.689 3.661 8.676 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.493 3.124 9.721 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -4.143 3.629 10.718 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.393 5.541 10.172 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -3.964 5.629 9.260 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -5.417 5.161 8.518 1.00 1.95 H new ATOM 704 N LEU A 48 -0.651 1.039 5.428 1.00 0.14 N ATOM 705 CA LEU A 48 -0.085 0.094 4.487 1.00 0.10 C ATOM 706 C LEU A 48 -0.684 -1.275 4.728 1.00 0.11 C ATOM 707 O LEU A 48 -0.907 -1.685 5.863 1.00 0.14 O ATOM 708 CB LEU A 48 1.428 0.009 4.605 1.00 0.10 C ATOM 709 CG LEU A 48 2.027 -1.266 4.029 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.010 -1.244 2.519 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.433 -1.454 4.520 1.00 0.13 C ATOM 0 H LEU A 48 -0.571 0.762 6.406 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.322 0.443 3.482 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.870 0.866 4.097 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.704 0.084 5.657 1.00 0.10 H new ATOM 0 HG LEU A 48 1.415 -2.102 4.367 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.444 -2.168 2.137 1.00 0.12 H new ATOM 0 HD12 LEU A 48 0.982 -1.154 2.168 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.592 -0.394 2.161 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.846 -2.370 4.098 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.043 -0.605 4.211 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.432 -1.523 5.608 1.00 0.13 H new ATOM 723 N GLN A 49 -0.901 -1.977 3.651 1.00 0.10 N ATOM 724 CA GLN A 49 -1.474 -3.300 3.689 1.00 0.11 C ATOM 725 C GLN A 49 -0.473 -4.289 3.142 1.00 0.10 C ATOM 726 O GLN A 49 0.429 -3.929 2.386 1.00 0.12 O ATOM 727 CB GLN A 49 -2.742 -3.384 2.848 1.00 0.15 C ATOM 728 CG GLN A 49 -3.809 -2.361 3.196 1.00 0.27 C ATOM 729 CD GLN A 49 -4.463 -2.610 4.540 1.00 0.86 C ATOM 730 OE1 GLN A 49 -5.489 -3.449 4.551 1.00 1.49 O flip ATOM 731 NE2 GLN A 49 -4.040 -2.075 5.562 1.00 1.03 N flip ATOM 0 H GLN A 49 -0.684 -1.646 2.711 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.725 -3.528 4.725 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.473 -3.264 1.799 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.167 -4.382 2.956 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.363 -1.367 3.196 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.575 -2.367 2.420 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -3.248 -1.435 5.512 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -4.481 -2.271 6.460 1.00 1.03 H new ATOM 740 N ALA A 50 -0.648 -5.523 3.525 1.00 0.11 N ATOM 741 CA ALA A 50 0.168 -6.610 3.042 1.00 0.13 C ATOM 742 C ALA A 50 -0.574 -7.903 3.314 1.00 0.18 C ATOM 743 O ALA A 50 -1.438 -7.944 4.192 1.00 0.25 O ATOM 744 CB ALA A 50 1.526 -6.602 3.730 1.00 0.16 C ATOM 0 H ALA A 50 -1.368 -5.809 4.188 1.00 0.11 H new ATOM 0 HA ALA A 50 0.349 -6.505 1.972 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.129 -7.428 3.354 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.033 -5.659 3.523 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.390 -6.712 4.806 1.00 0.16 H new ATOM 750 N THR A 51 -0.278 -8.932 2.544 1.00 0.17 N ATOM 751 CA THR A 51 -0.931 -10.220 2.710 1.00 0.22 C ATOM 752 C THR A 51 -0.727 -10.761 4.126 1.00 0.33 C ATOM 753 O THR A 51 0.399 -10.964 4.580 1.00 0.37 O ATOM 754 CB THR A 51 -0.391 -11.241 1.702 1.00 0.21 C ATOM 755 OG1 THR A 51 1.035 -11.225 1.706 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.897 -10.961 0.299 1.00 0.20 C ATOM 0 H THR A 51 0.413 -8.903 1.794 1.00 0.17 H new ATOM 0 HA THR A 51 -1.996 -10.068 2.534 1.00 0.22 H new ATOM 0 HB THR A 51 -0.750 -12.225 2.004 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.352 -10.305 1.594 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.494 -11.705 -0.388 1.00 0.20 H new ATOM 0 HG22 THR A 51 -1.986 -11.010 0.288 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.575 -9.967 -0.012 1.00 0.20 H new ATOM 764 N PRO A 52 -1.838 -10.970 4.826 1.00 0.41 N ATOM 765 CA PRO A 52 -1.879 -11.530 6.180 1.00 0.54 C ATOM 766 C PRO A 52 -1.564 -13.014 6.183 1.00 0.61 C ATOM 767 O PRO A 52 -1.474 -13.633 5.124 1.00 0.58 O ATOM 768 CB PRO A 52 -3.329 -11.311 6.604 1.00 0.64 C ATOM 769 CG PRO A 52 -4.078 -11.313 5.329 1.00 0.60 C ATOM 770 CD PRO A 52 -3.180 -10.656 4.333 1.00 0.45 C ATOM 0 HA PRO A 52 -1.147 -11.066 6.840 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.674 -12.101 7.271 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.451 -10.368 7.137 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -4.326 -12.329 5.022 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -5.018 -10.771 5.426 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.340 -11.047 3.328 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.350 -9.580 4.287 1.00 0.45 H new ATOM 778 N ALA A 53 -1.354 -13.577 7.362 1.00 0.73 N ATOM 779 CA ALA A 53 -1.202 -15.019 7.496 1.00 0.86 C ATOM 780 C ALA A 53 -2.425 -15.738 6.918 1.00 0.91 C ATOM 781 O ALA A 53 -2.335 -16.879 6.468 1.00 1.00 O ATOM 782 CB ALA A 53 -0.999 -15.399 8.955 1.00 1.02 C ATOM 0 H ALA A 53 -1.285 -13.060 8.239 1.00 0.73 H new ATOM 0 HA ALA A 53 -0.321 -15.330 6.935 1.00 0.86 H new ATOM 0 HB1 ALA A 53 -0.887 -16.480 9.037 1.00 1.02 H new ATOM 0 HB2 ALA A 53 -0.102 -14.911 9.337 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -1.862 -15.078 9.538 1.00 1.02 H new ATOM 788 N SER A 54 -3.564 -15.047 6.918 1.00 0.89 N ATOM 789 CA SER A 54 -4.795 -15.577 6.342 1.00 0.98 C ATOM 790 C SER A 54 -4.685 -15.666 4.821 1.00 0.88 C ATOM 791 O SER A 54 -5.343 -16.483 4.184 1.00 0.97 O ATOM 792 CB SER A 54 -5.971 -14.679 6.719 1.00 1.07 C ATOM 793 OG SER A 54 -6.088 -14.552 8.127 1.00 1.58 O ATOM 0 H SER A 54 -3.658 -14.112 7.314 1.00 0.89 H new ATOM 0 HA SER A 54 -4.958 -16.579 6.739 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.838 -13.694 6.272 1.00 1.07 H new ATOM 0 HB3 SER A 54 -6.893 -15.092 6.310 1.00 1.07 H new ATOM 0 HG SER A 54 -6.847 -13.971 8.341 1.00 1.58 H new ATOM 799 N SER A 55 -3.835 -14.829 4.253 1.00 0.71 N ATOM 800 CA SER A 55 -3.600 -14.827 2.822 1.00 0.61 C ATOM 801 C SER A 55 -2.497 -15.821 2.484 1.00 0.63 C ATOM 802 O SER A 55 -1.536 -15.975 3.242 1.00 0.71 O ATOM 803 CB SER A 55 -3.198 -13.428 2.346 1.00 0.55 C ATOM 804 OG SER A 55 -3.112 -13.372 0.932 1.00 0.54 O ATOM 0 H SER A 55 -3.292 -14.136 4.768 1.00 0.71 H new ATOM 0 HA SER A 55 -4.521 -15.117 2.315 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.927 -12.698 2.698 1.00 0.55 H new ATOM 0 HB3 SER A 55 -2.237 -13.155 2.782 1.00 0.55 H new ATOM 0 HG SER A 55 -3.623 -12.603 0.603 1.00 0.54 H new ATOM 810 N GLU A 56 -2.641 -16.498 1.358 1.00 0.61 N ATOM 811 CA GLU A 56 -1.664 -17.482 0.927 1.00 0.69 C ATOM 812 C GLU A 56 -0.659 -16.855 -0.026 1.00 0.60 C ATOM 813 O GLU A 56 0.333 -17.478 -0.406 1.00 0.70 O ATOM 814 CB GLU A 56 -2.359 -18.645 0.238 1.00 0.80 C ATOM 815 CG GLU A 56 -3.640 -19.082 0.922 1.00 1.19 C ATOM 816 CD GLU A 56 -4.872 -18.430 0.324 1.00 2.20 C ATOM 817 OE1 GLU A 56 -5.167 -17.263 0.664 1.00 2.66 O ATOM 818 OE2 GLU A 56 -5.547 -19.082 -0.501 1.00 2.89 O ATOM 0 H GLU A 56 -3.430 -16.383 0.722 1.00 0.61 H new ATOM 0 HA GLU A 56 -1.136 -17.847 1.808 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.585 -18.364 -0.791 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.674 -19.492 0.194 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.735 -20.165 0.849 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.583 -18.838 1.983 1.00 1.19 H new ATOM 825 N LYS A 57 -0.924 -15.617 -0.406 1.00 0.46 N ATOM 826 CA LYS A 57 -0.141 -14.943 -1.431 1.00 0.39 C ATOM 827 C LYS A 57 0.837 -13.948 -0.810 1.00 0.32 C ATOM 828 O LYS A 57 0.996 -13.899 0.412 1.00 0.39 O ATOM 829 CB LYS A 57 -1.084 -14.217 -2.390 1.00 0.41 C ATOM 830 CG LYS A 57 -2.319 -15.029 -2.768 1.00 0.56 C ATOM 831 CD LYS A 57 -1.969 -16.338 -3.446 1.00 0.89 C ATOM 832 CE LYS A 57 -1.265 -16.129 -4.774 1.00 1.84 C ATOM 833 NZ LYS A 57 -2.133 -15.436 -5.765 1.00 2.59 N ATOM 0 H LYS A 57 -1.681 -15.054 -0.018 1.00 0.46 H new ATOM 0 HA LYS A 57 0.438 -15.689 -1.975 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.402 -13.280 -1.933 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.538 -13.960 -3.297 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.904 -15.233 -1.871 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -2.950 -14.437 -3.432 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.330 -16.926 -2.787 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.879 -16.916 -3.607 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -0.359 -15.545 -4.615 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -0.956 -17.094 -5.176 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -1.690 -15.479 -6.705 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -3.062 -15.902 -5.799 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -2.255 -14.442 -5.485 1.00 2.59 H new ATOM 847 N MET A 58 1.501 -13.178 -1.666 1.00 0.27 N ATOM 848 CA MET A 58 2.398 -12.115 -1.231 1.00 0.25 C ATOM 849 C MET A 58 2.073 -10.822 -1.970 1.00 0.23 C ATOM 850 O MET A 58 2.279 -10.724 -3.182 1.00 0.29 O ATOM 851 CB MET A 58 3.875 -12.452 -1.505 1.00 0.29 C ATOM 852 CG MET A 58 4.149 -13.734 -2.301 1.00 0.42 C ATOM 853 SD MET A 58 3.240 -13.842 -3.858 1.00 1.78 S ATOM 854 CE MET A 58 3.881 -15.377 -4.521 1.00 1.53 C ATOM 0 H MET A 58 1.432 -13.274 -2.679 1.00 0.27 H new ATOM 0 HA MET A 58 2.252 -12.003 -0.157 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.322 -11.615 -2.042 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.391 -12.528 -0.548 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.217 -13.798 -2.511 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.894 -14.595 -1.683 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.413 -15.581 -5.484 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.960 -15.294 -4.652 1.00 1.53 H new ATOM 0 HE3 MET A 58 3.661 -16.192 -3.831 1.00 1.53 H new ATOM 864 N MET A 59 1.572 -9.834 -1.252 1.00 0.20 N ATOM 865 CA MET A 59 1.205 -8.566 -1.867 1.00 0.21 C ATOM 866 C MET A 59 1.177 -7.431 -0.847 1.00 0.18 C ATOM 867 O MET A 59 0.762 -7.627 0.290 1.00 0.26 O ATOM 868 CB MET A 59 -0.150 -8.694 -2.560 1.00 0.27 C ATOM 869 CG MET A 59 -0.076 -8.557 -4.074 1.00 0.64 C ATOM 870 SD MET A 59 -1.603 -9.028 -4.911 1.00 1.30 S ATOM 871 CE MET A 59 -1.812 -10.711 -4.328 1.00 0.62 C ATOM 0 H MET A 59 1.409 -9.882 -0.246 1.00 0.20 H new ATOM 0 HA MET A 59 1.966 -8.321 -2.608 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.585 -9.662 -2.312 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.823 -7.932 -2.167 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.165 -7.524 -4.327 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.740 -9.175 -4.448 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.232 -11.323 -5.126 1.00 0.62 H new ATOM 0 HE2 MET A 59 -0.845 -11.116 -4.031 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.487 -10.718 -3.472 1.00 0.62 H new ATOM 881 N LEU A 60 1.628 -6.255 -1.263 1.00 0.12 N ATOM 882 CA LEU A 60 1.480 -5.037 -0.452 1.00 0.10 C ATOM 883 C LEU A 60 0.463 -4.077 -1.077 1.00 0.10 C ATOM 884 O LEU A 60 0.144 -4.176 -2.262 1.00 0.13 O ATOM 885 CB LEU A 60 2.800 -4.284 -0.309 1.00 0.13 C ATOM 886 CG LEU A 60 3.576 -4.510 0.982 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.377 -5.789 0.943 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.496 -3.349 1.223 1.00 0.14 C ATOM 0 H LEU A 60 2.100 -6.111 -2.156 1.00 0.12 H new ATOM 0 HA LEU A 60 1.138 -5.368 0.529 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.442 -4.560 -1.146 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.596 -3.217 -0.402 1.00 0.13 H new ATOM 0 HG LEU A 60 2.854 -4.595 1.794 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.915 -5.910 1.883 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.705 -6.635 0.797 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.091 -5.747 0.120 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.051 -3.511 2.147 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.194 -3.259 0.391 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.911 -2.433 1.307 1.00 0.14 H new ATOM 900 N ARG A 61 -0.012 -3.135 -0.273 1.00 0.10 N ATOM 901 CA ARG A 61 -0.949 -2.108 -0.722 1.00 0.11 C ATOM 902 C ARG A 61 -0.811 -0.864 0.164 1.00 0.11 C ATOM 903 O ARG A 61 -1.153 -0.899 1.334 1.00 0.11 O ATOM 904 CB ARG A 61 -2.383 -2.644 -0.651 1.00 0.16 C ATOM 905 CG ARG A 61 -3.221 -2.378 -1.887 1.00 0.32 C ATOM 906 CD ARG A 61 -3.533 -0.908 -2.089 1.00 0.56 C ATOM 907 NE ARG A 61 -4.234 -0.671 -3.360 1.00 1.35 N ATOM 908 CZ ARG A 61 -5.546 -0.872 -3.553 1.00 1.67 C ATOM 909 NH1 ARG A 61 -6.306 -1.351 -2.579 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.091 -0.610 -4.734 1.00 2.72 N ATOM 0 H ARG A 61 0.241 -3.059 0.712 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.723 -1.840 -1.754 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.346 -3.720 -0.478 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.880 -2.199 0.211 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.695 -2.755 -2.764 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -4.155 -2.935 -1.812 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.146 -0.549 -1.263 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -2.607 -0.334 -2.071 1.00 0.56 H new ATOM 0 HE ARG A 61 -3.685 -0.330 -4.149 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -5.894 -1.571 -1.672 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -7.303 -1.500 -2.736 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -5.512 -0.256 -5.495 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.089 -0.763 -4.880 1.00 2.72 H new ATOM 924 N LEU A 62 -0.325 0.231 -0.394 1.00 0.11 N ATOM 925 CA LEU A 62 -0.123 1.452 0.378 1.00 0.11 C ATOM 926 C LEU A 62 -1.315 2.395 0.230 1.00 0.15 C ATOM 927 O LEU A 62 -1.618 2.873 -0.858 1.00 0.19 O ATOM 928 CB LEU A 62 1.193 2.125 -0.029 1.00 0.12 C ATOM 929 CG LEU A 62 2.391 1.647 0.794 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.705 1.923 0.097 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.402 2.308 2.150 1.00 0.86 C ATOM 0 H LEU A 62 -0.062 0.303 -1.377 1.00 0.11 H new ATOM 0 HA LEU A 62 -0.051 1.192 1.434 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.383 1.929 -1.084 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.091 3.205 0.081 1.00 0.12 H new ATOM 0 HG LEU A 62 2.284 0.568 0.909 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.528 1.567 0.717 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.724 1.406 -0.862 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.812 2.995 -0.067 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.261 1.955 2.720 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.467 3.389 2.027 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.485 2.058 2.684 1.00 0.86 H new ATOM 943 N ILE A 63 -1.976 2.652 1.344 1.00 0.17 N ATOM 944 CA ILE A 63 -3.211 3.428 1.384 1.00 0.23 C ATOM 945 C ILE A 63 -2.909 4.913 1.514 1.00 0.21 C ATOM 946 O ILE A 63 -2.587 5.369 2.596 1.00 0.25 O ATOM 947 CB ILE A 63 -4.060 3.053 2.625 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.032 1.547 2.897 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.494 3.540 2.472 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.687 0.721 1.831 1.00 0.33 C ATOM 0 H ILE A 63 -1.670 2.325 2.260 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.746 3.210 0.460 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.614 3.554 3.484 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -2.996 1.227 3.004 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.526 1.351 3.849 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.068 3.264 3.356 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.500 4.624 2.359 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.942 3.081 1.591 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.625 -0.334 2.098 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.734 1.011 1.738 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -4.179 0.885 0.880 1.00 0.33 H new ATOM 962 N GLY A 64 -3.019 5.666 0.434 1.00 0.27 N ATOM 963 CA GLY A 64 -2.842 7.107 0.532 1.00 0.30 C ATOM 964 C GLY A 64 -4.039 7.753 1.195 1.00 0.35 C ATOM 965 O GLY A 64 -5.159 7.285 1.009 1.00 0.48 O ATOM 0 H GLY A 64 -3.225 5.316 -0.502 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -1.941 7.329 1.103 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.700 7.529 -0.463 1.00 0.30 H new ATOM 969 N LYS A 65 -3.810 8.808 1.975 1.00 0.30 N ATOM 970 CA LYS A 65 -4.889 9.451 2.723 1.00 0.33 C ATOM 971 C LYS A 65 -6.042 9.860 1.813 1.00 0.38 C ATOM 972 O LYS A 65 -5.840 10.416 0.731 1.00 0.41 O ATOM 973 CB LYS A 65 -4.398 10.685 3.488 1.00 0.34 C ATOM 974 CG LYS A 65 -3.826 10.392 4.873 1.00 0.36 C ATOM 975 CD LYS A 65 -2.328 10.170 4.847 1.00 0.40 C ATOM 976 CE LYS A 65 -1.746 10.132 6.252 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.880 11.435 6.956 1.00 1.15 N ATOM 0 H LYS A 65 -2.892 9.234 2.105 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.243 8.708 3.438 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.634 11.184 2.893 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.228 11.384 3.593 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.055 11.223 5.540 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.314 9.508 5.285 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.107 9.234 4.335 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.851 10.966 4.276 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.249 9.356 6.830 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.692 9.857 6.199 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -1.234 11.457 7.771 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -1.641 12.208 6.303 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -2.859 11.552 7.287 1.00 1.15 H new ATOM 991 N VAL A 66 -7.249 9.569 2.277 1.00 0.42 N ATOM 992 CA VAL A 66 -8.470 9.940 1.578 1.00 0.51 C ATOM 993 C VAL A 66 -8.662 11.459 1.621 1.00 0.57 C ATOM 994 O VAL A 66 -7.937 12.166 2.332 1.00 0.61 O ATOM 995 CB VAL A 66 -9.699 9.210 2.189 1.00 0.57 C ATOM 996 CG1 VAL A 66 -9.984 9.698 3.602 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.945 9.334 1.315 1.00 0.69 C ATOM 0 H VAL A 66 -7.409 9.068 3.151 1.00 0.42 H new ATOM 0 HA VAL A 66 -8.381 9.631 0.536 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.441 8.152 2.234 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -10.849 9.169 4.002 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.117 9.507 4.235 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.190 10.768 3.583 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.774 8.807 1.787 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -11.204 10.386 1.197 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.748 8.897 0.336 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.318 6.647 -1.755 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.595 6.252 -2.957 1.00 0.52 C ATOM 1296 C GLN A 85 -5.330 5.497 -2.583 1.00 0.43 C ATOM 1297 O GLN A 85 -4.453 6.020 -1.899 1.00 0.54 O ATOM 1298 CB GLN A 85 -6.285 7.473 -3.832 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.655 8.626 -3.077 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.245 8.934 -3.541 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -4.041 9.735 -4.452 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -3.265 8.294 -2.927 1.00 0.97 N ATOM 0 HA GLN A 85 -7.226 5.584 -3.543 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -5.616 7.170 -4.637 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -7.208 7.818 -4.298 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -6.274 9.515 -3.198 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -5.639 8.391 -2.013 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.477 7.637 -2.176 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.297 8.457 -3.204 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.248 4.256 -3.024 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.215 3.352 -2.556 1.00 0.27 C ATOM 1313 C ARG A 86 -3.330 2.880 -3.702 1.00 0.26 C ATOM 1314 O ARG A 86 -3.689 3.004 -4.868 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.859 2.152 -1.871 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.097 2.511 -1.077 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.892 1.281 -0.680 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.992 1.627 0.216 1.00 1.21 N ATOM 1319 CZ ARG A 86 -8.536 0.786 1.092 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -8.072 -0.447 1.218 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -9.542 1.184 1.857 1.00 2.29 N ATOM 0 H ARG A 86 -5.887 3.850 -3.708 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.587 3.890 -1.846 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -5.121 1.409 -2.625 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.131 1.688 -1.206 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.807 3.060 -0.181 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.727 3.175 -1.668 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -7.286 0.796 -1.573 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -6.234 0.562 -0.191 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.367 2.574 0.167 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -7.291 -0.760 0.641 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -8.495 -1.085 1.892 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -9.900 2.136 1.775 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -9.959 0.539 2.528 1.00 2.29 H new ATOM 1335 N HIS A 87 -2.164 2.360 -3.355 1.00 0.19 N ATOM 1336 CA HIS A 87 -1.198 1.881 -4.331 1.00 0.18 C ATOM 1337 C HIS A 87 -0.829 0.431 -4.040 1.00 0.15 C ATOM 1338 O HIS A 87 -0.242 0.135 -3.005 1.00 0.14 O ATOM 1339 CB HIS A 87 0.049 2.763 -4.286 1.00 0.21 C ATOM 1340 CG HIS A 87 -0.238 4.203 -4.584 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.689 4.649 -5.808 1.00 0.41 N ATOM 1342 CD2 HIS A 87 -0.169 5.297 -3.791 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.885 5.953 -5.753 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.576 6.368 -4.540 1.00 0.47 N ATOM 0 H HIS A 87 -1.860 2.258 -2.387 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.638 1.931 -5.327 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.505 2.686 -3.299 1.00 0.21 H new ATOM 0 HB3 HIS A 87 0.778 2.388 -5.004 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.148 5.321 -2.759 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -1.238 6.574 -6.563 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.631 7.332 -4.212 1.00 0.47 H new ATOM 1353 N MET A 88 -1.171 -0.465 -4.949 1.00 0.16 N ATOM 1354 CA MET A 88 -0.989 -1.899 -4.719 1.00 0.15 C ATOM 1355 C MET A 88 0.160 -2.443 -5.545 1.00 0.20 C ATOM 1356 O MET A 88 0.219 -2.211 -6.751 1.00 0.30 O ATOM 1357 CB MET A 88 -2.259 -2.678 -5.076 1.00 0.20 C ATOM 1358 CG MET A 88 -2.151 -4.168 -4.773 1.00 0.23 C ATOM 1359 SD MET A 88 -3.658 -5.086 -5.157 1.00 0.32 S ATOM 1360 CE MET A 88 -4.786 -4.444 -3.920 1.00 0.42 C ATOM 0 H MET A 88 -1.577 -0.231 -5.855 1.00 0.16 H new ATOM 0 HA MET A 88 -0.768 -2.026 -3.659 1.00 0.15 H new ATOM 0 HB2 MET A 88 -3.101 -2.261 -4.524 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.475 -2.543 -6.136 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.323 -4.588 -5.343 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.912 -4.301 -3.718 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.732 -4.983 -3.976 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.352 -4.575 -2.929 1.00 0.42 H new ATOM 0 HE3 MET A 88 -4.961 -3.384 -4.102 1.00 0.42 H new ATOM 1370 N PHE A 89 1.079 -3.158 -4.907 1.00 0.18 N ATOM 1371 CA PHE A 89 2.132 -3.822 -5.628 1.00 0.28 C ATOM 1372 C PHE A 89 2.031 -5.318 -5.367 1.00 0.31 C ATOM 1373 O PHE A 89 1.708 -5.739 -4.256 1.00 0.43 O ATOM 1374 CB PHE A 89 3.484 -3.273 -5.172 1.00 0.34 C ATOM 1375 CG PHE A 89 3.370 -1.925 -4.512 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.335 -0.766 -5.274 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.318 -1.815 -3.135 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.248 0.473 -4.673 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.234 -0.578 -2.527 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.123 0.560 -3.295 1.00 1.33 C ATOM 0 H PHE A 89 1.108 -3.286 -3.895 1.00 0.18 H new ATOM 0 HA PHE A 89 2.037 -3.643 -6.699 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.941 -3.976 -4.476 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.150 -3.197 -6.032 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.376 -0.834 -6.351 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.343 -2.707 -2.527 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.277 1.370 -5.273 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.255 -0.503 -1.450 1.00 1.26 H new ATOM 0 HZ PHE A 89 2.939 1.515 -2.826 1.00 1.33 H new ATOM 1390 N SER A 90 2.259 -6.117 -6.386 1.00 0.26 N ATOM 1391 CA SER A 90 2.239 -7.554 -6.230 1.00 0.26 C ATOM 1392 C SER A 90 3.657 -8.078 -6.126 1.00 0.23 C ATOM 1393 O SER A 90 4.501 -7.792 -6.967 1.00 0.24 O ATOM 1394 CB SER A 90 1.491 -8.208 -7.387 1.00 0.28 C ATOM 1395 OG SER A 90 0.150 -7.751 -7.447 1.00 0.94 O ATOM 0 H SER A 90 2.461 -5.795 -7.333 1.00 0.26 H new ATOM 0 HA SER A 90 1.710 -7.807 -5.311 1.00 0.26 H new ATOM 0 HB2 SER A 90 1.998 -7.984 -8.326 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.505 -9.291 -7.268 1.00 0.28 H new ATOM 0 HG SER A 90 -0.359 -8.131 -6.701 1.00 0.94 H new ATOM 1401 N PHE A 91 3.913 -8.831 -5.080 1.00 0.21 N ATOM 1402 CA PHE A 91 5.265 -9.278 -4.780 1.00 0.21 C ATOM 1403 C PHE A 91 5.424 -10.758 -5.098 1.00 0.23 C ATOM 1404 O PHE A 91 4.440 -11.481 -5.228 1.00 0.28 O ATOM 1405 CB PHE A 91 5.564 -8.979 -3.306 1.00 0.30 C ATOM 1406 CG PHE A 91 5.502 -7.502 -3.010 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.308 -6.809 -3.013 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.652 -6.817 -2.683 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.275 -5.461 -2.701 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.619 -5.481 -2.376 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.349 -4.771 -2.548 1.00 1.33 C ATOM 0 H PHE A 91 3.205 -9.150 -4.419 1.00 0.21 H new ATOM 0 HA PHE A 91 5.982 -8.742 -5.402 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.848 -9.506 -2.676 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.553 -9.359 -3.051 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.391 -7.323 -3.261 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.596 -7.342 -2.668 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.318 -4.974 -2.582 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.500 -4.969 -2.019 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.316 -3.692 -2.546 1.00 1.33 H new ATOM 1421 N ASN A 92 6.665 -11.194 -5.256 1.00 0.31 N ATOM 1422 CA ASN A 92 6.947 -12.536 -5.742 1.00 0.39 C ATOM 1423 C ASN A 92 7.339 -13.445 -4.597 1.00 0.35 C ATOM 1424 O ASN A 92 7.501 -14.652 -4.780 1.00 0.42 O ATOM 1425 CB ASN A 92 8.080 -12.508 -6.776 1.00 0.51 C ATOM 1426 CG ASN A 92 7.762 -11.656 -7.991 1.00 0.80 C ATOM 1427 OD1 ASN A 92 8.050 -10.461 -8.019 1.00 1.53 O ATOM 1428 ND2 ASN A 92 7.177 -12.267 -9.010 1.00 1.27 N ATOM 0 H ASN A 92 7.495 -10.636 -5.054 1.00 0.31 H new ATOM 0 HA ASN A 92 6.041 -12.919 -6.212 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.986 -12.129 -6.302 1.00 0.51 H new ATOM 0 HB3 ASN A 92 8.292 -13.527 -7.100 1.00 0.51 H new ATOM 0 HD21 ASN A 92 6.950 -11.744 -9.856 1.00 1.27 H new ATOM 0 HD22 ASN A 92 6.954 -13.260 -8.949 1.00 1.27 H new ATOM 1435 N ASN A 93 7.499 -12.865 -3.417 1.00 0.30 N ATOM 1436 CA ASN A 93 7.958 -13.621 -2.269 1.00 0.32 C ATOM 1437 C ASN A 93 7.364 -13.070 -0.984 1.00 0.28 C ATOM 1438 O ASN A 93 7.389 -11.862 -0.731 1.00 0.23 O ATOM 1439 CB ASN A 93 9.487 -13.573 -2.211 1.00 0.37 C ATOM 1440 CG ASN A 93 10.088 -14.576 -1.234 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.480 -14.928 -0.224 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.296 -15.030 -1.520 1.00 0.83 N ATOM 0 H ASN A 93 7.318 -11.878 -3.233 1.00 0.30 H new ATOM 0 HA ASN A 93 7.629 -14.655 -2.372 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.887 -13.763 -3.207 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.801 -12.568 -1.928 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.753 -15.694 -0.894 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.771 -14.717 -2.366 1.00 0.83 H new ATOM 1449 N ARG A 94 6.828 -13.985 -0.183 1.00 0.34 N ATOM 1450 CA ARG A 94 6.208 -13.658 1.092 1.00 0.37 C ATOM 1451 C ARG A 94 7.207 -13.008 2.042 1.00 0.30 C ATOM 1452 O ARG A 94 6.837 -12.162 2.847 1.00 0.27 O ATOM 1453 CB ARG A 94 5.620 -14.923 1.719 1.00 0.57 C ATOM 1454 CG ARG A 94 5.045 -14.718 3.106 1.00 0.90 C ATOM 1455 CD ARG A 94 3.814 -13.850 3.056 1.00 0.71 C ATOM 1456 NE ARG A 94 3.294 -13.578 4.391 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.005 -13.624 4.714 1.00 1.35 C ATOM 1458 NH1 ARG A 94 1.087 -13.895 3.789 1.00 2.16 N ATOM 1459 NH2 ARG A 94 1.631 -13.387 5.962 1.00 1.70 N ATOM 0 H ARG A 94 6.813 -14.981 -0.404 1.00 0.34 H new ATOM 0 HA ARG A 94 5.408 -12.940 0.912 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.837 -15.308 1.066 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.397 -15.686 1.769 1.00 0.57 H new ATOM 0 HG2 ARG A 94 4.796 -15.683 3.547 1.00 0.90 H new ATOM 0 HG3 ARG A 94 5.794 -14.257 3.750 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.051 -12.909 2.559 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.046 -14.341 2.459 1.00 0.71 H new ATOM 0 HE ARG A 94 3.962 -13.337 5.124 1.00 0.99 H new ATOM 0 HH11 ARG A 94 1.370 -14.069 2.825 1.00 2.16 H new ATOM 0 HH12 ARG A 94 0.100 -13.929 4.044 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.331 -13.170 6.672 1.00 1.70 H new ATOM 0 HH22 ARG A 94 0.643 -13.421 6.214 1.00 1.70 H new ATOM 1473 N THR A 95 8.471 -13.386 1.928 1.00 0.30 N ATOM 1474 CA THR A 95 9.500 -12.834 2.792 1.00 0.27 C ATOM 1475 C THR A 95 9.810 -11.394 2.395 1.00 0.21 C ATOM 1476 O THR A 95 9.691 -10.481 3.203 1.00 0.18 O ATOM 1477 CB THR A 95 10.791 -13.670 2.739 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.529 -15.013 3.164 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.857 -13.051 3.625 1.00 0.32 C ATOM 0 H THR A 95 8.807 -14.069 1.249 1.00 0.30 H new ATOM 0 HA THR A 95 9.117 -12.858 3.812 1.00 0.27 H new ATOM 0 HB THR A 95 11.150 -13.685 1.710 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.357 -15.536 3.125 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.764 -13.653 3.577 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.074 -12.040 3.281 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.499 -13.015 4.654 1.00 0.32 H new ATOM 1487 N VAL A 96 10.208 -11.209 1.144 1.00 0.23 N ATOM 1488 CA VAL A 96 10.486 -9.885 0.589 1.00 0.21 C ATOM 1489 C VAL A 96 9.388 -8.893 0.926 1.00 0.19 C ATOM 1490 O VAL A 96 9.651 -7.818 1.458 1.00 0.19 O ATOM 1491 CB VAL A 96 10.607 -9.951 -0.941 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.884 -8.569 -1.515 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.696 -10.930 -1.345 1.00 0.29 C ATOM 0 H VAL A 96 10.348 -11.972 0.482 1.00 0.23 H new ATOM 0 HA VAL A 96 11.425 -9.554 1.033 1.00 0.21 H new ATOM 0 HB VAL A 96 9.660 -10.305 -1.348 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.967 -8.635 -2.600 1.00 0.28 H new ATOM 0 HG12 VAL A 96 10.067 -7.896 -1.254 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.817 -8.184 -1.103 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.769 -10.965 -2.432 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.649 -10.606 -0.928 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.452 -11.922 -0.966 1.00 0.29 H new ATOM 1503 N MET A 97 8.156 -9.261 0.622 1.00 0.19 N ATOM 1504 CA MET A 97 7.032 -8.380 0.862 1.00 0.19 C ATOM 1505 C MET A 97 6.826 -8.176 2.357 1.00 0.17 C ATOM 1506 O MET A 97 6.359 -7.127 2.784 1.00 0.19 O ATOM 1507 CB MET A 97 5.779 -8.936 0.191 1.00 0.21 C ATOM 1508 CG MET A 97 5.150 -10.132 0.887 1.00 0.22 C ATOM 1509 SD MET A 97 3.509 -9.781 1.540 1.00 0.29 S ATOM 1510 CE MET A 97 3.885 -9.334 3.227 1.00 0.17 C ATOM 0 H MET A 97 7.911 -10.161 0.210 1.00 0.19 H new ATOM 0 HA MET A 97 7.242 -7.404 0.424 1.00 0.19 H new ATOM 0 HB2 MET A 97 5.036 -8.141 0.128 1.00 0.21 H new ATOM 0 HB3 MET A 97 6.029 -9.221 -0.831 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.086 -10.962 0.184 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.798 -10.454 1.702 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.993 -9.453 3.842 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.677 -9.980 3.607 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.215 -8.296 3.263 1.00 0.17 H new ATOM 1520 N ASP A 98 7.212 -9.166 3.153 1.00 0.16 N ATOM 1521 CA ASP A 98 7.133 -9.046 4.603 1.00 0.16 C ATOM 1522 C ASP A 98 8.138 -8.005 5.074 1.00 0.15 C ATOM 1523 O ASP A 98 7.911 -7.294 6.049 1.00 0.22 O ATOM 1524 CB ASP A 98 7.404 -10.399 5.269 1.00 0.21 C ATOM 1525 CG ASP A 98 7.432 -10.324 6.778 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.360 -10.148 7.394 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.526 -10.462 7.364 1.00 0.39 O ATOM 0 H ASP A 98 7.581 -10.057 2.821 1.00 0.16 H new ATOM 0 HA ASP A 98 6.129 -8.729 4.886 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.636 -11.109 4.961 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.358 -10.787 4.913 1.00 0.21 H new ATOM 1532 N ASN A 99 9.224 -7.893 4.320 1.00 0.12 N ATOM 1533 CA ASN A 99 10.278 -6.927 4.603 1.00 0.13 C ATOM 1534 C ASN A 99 9.848 -5.542 4.159 1.00 0.15 C ATOM 1535 O ASN A 99 9.944 -4.574 4.907 1.00 0.24 O ATOM 1536 CB ASN A 99 11.570 -7.299 3.863 1.00 0.22 C ATOM 1537 CG ASN A 99 12.316 -8.466 4.472 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.153 -9.640 3.888 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 13.066 -8.304 5.434 1.00 0.50 N flip ATOM 0 H ASN A 99 9.399 -8.468 3.496 1.00 0.12 H new ATOM 0 HA ASN A 99 10.461 -6.936 5.678 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.327 -7.537 2.827 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.228 -6.431 3.844 1.00 0.22 H new ATOM 0 HD21 ASN A 99 13.163 -7.380 5.855 1.00 0.50 H new ATOM 0 HD22 ASN A 99 13.591 -9.094 5.810 1.00 0.50 H new ATOM 1546 N ILE A 100 9.379 -5.464 2.925 1.00 0.12 N ATOM 1547 CA ILE A 100 8.891 -4.221 2.353 1.00 0.12 C ATOM 1548 C ILE A 100 7.777 -3.642 3.218 1.00 0.11 C ATOM 1549 O ILE A 100 7.816 -2.471 3.602 1.00 0.13 O ATOM 1550 CB ILE A 100 8.355 -4.467 0.927 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.486 -4.906 0.009 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.692 -3.218 0.368 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.556 -3.857 -0.140 1.00 0.11 C ATOM 0 H ILE A 100 9.326 -6.261 2.291 1.00 0.12 H new ATOM 0 HA ILE A 100 9.718 -3.513 2.312 1.00 0.12 H new ATOM 0 HB ILE A 100 7.607 -5.258 0.981 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.932 -5.820 0.401 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.079 -5.145 -0.973 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.324 -3.421 -0.638 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.858 -2.931 1.009 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.418 -2.406 0.332 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.337 -4.225 -0.806 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.120 -2.950 -0.559 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.987 -3.635 0.836 1.00 0.11 H new ATOM 1565 N LYS A 101 6.792 -4.482 3.531 1.00 0.11 N ATOM 1566 CA LYS A 101 5.687 -4.093 4.388 1.00 0.12 C ATOM 1567 C LYS A 101 6.192 -3.562 5.726 1.00 0.11 C ATOM 1568 O LYS A 101 5.804 -2.479 6.162 1.00 0.14 O ATOM 1569 CB LYS A 101 4.767 -5.294 4.636 1.00 0.18 C ATOM 1570 CG LYS A 101 3.891 -5.154 5.871 1.00 0.89 C ATOM 1571 CD LYS A 101 3.542 -6.507 6.479 1.00 0.75 C ATOM 1572 CE LYS A 101 4.692 -7.092 7.296 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.866 -6.398 8.603 1.00 1.11 N ATOM 0 H LYS A 101 6.742 -5.445 3.197 1.00 0.11 H new ATOM 0 HA LYS A 101 5.133 -3.301 3.883 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.129 -5.436 3.764 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.377 -6.192 4.735 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.406 -4.545 6.614 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.974 -4.627 5.607 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.664 -6.400 7.117 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.275 -7.202 5.683 1.00 0.75 H new ATOM 0 HE2 LYS A 101 4.508 -8.152 7.471 1.00 0.42 H new ATOM 0 HE3 LYS A 101 5.616 -7.020 6.723 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.588 -6.892 9.165 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 5.167 -5.416 8.437 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 3.964 -6.401 9.120 1.00 1.11 H new ATOM 1587 N MET A 102 7.067 -4.328 6.366 1.00 0.09 N ATOM 1588 CA MET A 102 7.531 -3.989 7.704 1.00 0.09 C ATOM 1589 C MET A 102 8.413 -2.750 7.668 1.00 0.09 C ATOM 1590 O MET A 102 8.587 -2.073 8.675 1.00 0.12 O ATOM 1591 CB MET A 102 8.270 -5.181 8.334 1.00 0.10 C ATOM 1592 CG MET A 102 9.672 -5.423 7.799 1.00 0.16 C ATOM 1593 SD MET A 102 10.951 -4.545 8.715 1.00 0.88 S ATOM 1594 CE MET A 102 10.790 -5.309 10.326 1.00 1.17 C ATOM 0 H MET A 102 7.467 -5.184 5.982 1.00 0.09 H new ATOM 0 HA MET A 102 6.665 -3.763 8.326 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.330 -5.024 9.411 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.677 -6.082 8.176 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.884 -6.492 7.828 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.711 -5.118 6.753 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.754 -5.293 10.834 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.059 -4.759 10.918 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.459 -6.341 10.208 1.00 1.17 H new ATOM 1604 N THR A 103 8.956 -2.458 6.500 1.00 0.08 N ATOM 1605 CA THR A 103 9.715 -1.245 6.294 1.00 0.08 C ATOM 1606 C THR A 103 8.790 -0.045 6.299 1.00 0.08 C ATOM 1607 O THR A 103 8.949 0.883 7.093 1.00 0.09 O ATOM 1608 CB THR A 103 10.448 -1.292 4.948 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.438 -2.319 4.968 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.090 0.033 4.631 1.00 0.11 C ATOM 0 H THR A 103 8.882 -3.053 5.675 1.00 0.08 H new ATOM 0 HA THR A 103 10.441 -1.159 7.102 1.00 0.08 H new ATOM 0 HB THR A 103 9.715 -1.509 4.171 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.005 -3.193 4.870 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.602 -0.031 3.671 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.323 0.806 4.582 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.810 0.284 5.410 1.00 0.11 H new ATOM 1618 N LEU A 104 7.812 -0.090 5.412 1.00 0.08 N ATOM 1619 CA LEU A 104 6.890 1.010 5.238 1.00 0.09 C ATOM 1620 C LEU A 104 6.123 1.269 6.517 1.00 0.11 C ATOM 1621 O LEU A 104 6.128 2.377 7.028 1.00 0.13 O ATOM 1622 CB LEU A 104 5.904 0.698 4.112 1.00 0.09 C ATOM 1623 CG LEU A 104 6.515 0.411 2.740 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.574 -0.411 1.897 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.825 1.687 2.018 1.00 0.11 C ATOM 0 H LEU A 104 7.638 -0.885 4.798 1.00 0.08 H new ATOM 0 HA LEU A 104 7.466 1.899 4.982 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.307 -0.165 4.408 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.219 1.540 4.013 1.00 0.09 H new ATOM 0 HG LEU A 104 7.437 -0.147 2.902 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.029 -0.603 0.925 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.371 -1.358 2.396 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.640 0.133 1.759 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.259 1.458 1.045 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.908 2.260 1.881 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.534 2.273 2.603 1.00 0.11 H new ATOM 1637 N GLN A 105 5.459 0.243 7.021 1.00 0.12 N ATOM 1638 CA GLN A 105 4.688 0.355 8.261 1.00 0.18 C ATOM 1639 C GLN A 105 5.511 0.903 9.423 1.00 0.18 C ATOM 1640 O GLN A 105 4.955 1.511 10.333 1.00 0.22 O ATOM 1641 CB GLN A 105 4.094 -0.985 8.669 1.00 0.28 C ATOM 1642 CG GLN A 105 2.954 -1.429 7.787 1.00 0.39 C ATOM 1643 CD GLN A 105 2.319 -2.717 8.247 1.00 0.64 C ATOM 1644 OE1 GLN A 105 2.342 -3.049 9.427 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.728 -3.441 7.313 1.00 0.99 N ATOM 0 H GLN A 105 5.434 -0.683 6.594 1.00 0.12 H new ATOM 0 HA GLN A 105 3.888 1.063 8.044 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.877 -1.743 8.647 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.743 -0.920 9.699 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.196 -0.646 7.761 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.318 -1.554 6.767 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.734 -3.125 6.343 1.00 0.99 H new ATOM 0 HE22 GLN A 105 1.266 -4.316 7.562 1.00 0.99 H new ATOM 1654 N GLN A 106 6.826 0.709 9.395 1.00 0.17 N ATOM 1655 CA GLN A 106 7.678 1.237 10.446 1.00 0.20 C ATOM 1656 C GLN A 106 7.647 2.750 10.390 1.00 0.20 C ATOM 1657 O GLN A 106 7.747 3.442 11.400 1.00 0.36 O ATOM 1658 CB GLN A 106 9.100 0.735 10.274 1.00 0.25 C ATOM 1659 CG GLN A 106 9.433 -0.473 11.129 1.00 0.30 C ATOM 1660 CD GLN A 106 10.876 -0.908 10.979 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.752 -0.471 11.725 1.00 0.65 O ATOM 1662 NE2 GLN A 106 11.134 -1.763 10.007 1.00 0.47 N ATOM 0 H GLN A 106 7.317 0.196 8.663 1.00 0.17 H new ATOM 0 HA GLN A 106 7.312 0.899 11.416 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.261 0.482 9.226 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.792 1.542 10.517 1.00 0.25 H new ATOM 0 HG2 GLN A 106 9.234 -0.240 12.175 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.777 -1.300 10.856 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.378 -2.101 9.411 1.00 0.47 H new ATOM 0 HE22 GLN A 106 12.089 -2.086 9.852 1.00 0.47 H new ATOM 1671 N ILE A 107 7.469 3.230 9.179 1.00 0.13 N ATOM 1672 CA ILE A 107 7.355 4.637 8.887 1.00 0.13 C ATOM 1673 C ILE A 107 5.932 5.111 9.132 1.00 0.14 C ATOM 1674 O ILE A 107 5.699 6.170 9.699 1.00 0.17 O ATOM 1675 CB ILE A 107 7.675 4.875 7.401 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.035 4.269 7.036 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.604 6.353 7.079 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.222 4.023 5.557 1.00 0.14 C ATOM 0 H ILE A 107 7.398 2.637 8.352 1.00 0.13 H new ATOM 0 HA ILE A 107 8.048 5.181 9.529 1.00 0.13 H new ATOM 0 HB ILE A 107 6.926 4.370 6.791 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.824 4.935 7.385 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.156 3.326 7.569 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.833 6.507 6.024 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.601 6.724 7.291 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.327 6.894 7.690 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.208 3.594 5.381 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.457 3.332 5.204 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.136 4.966 5.017 1.00 0.14 H new ATOM 1690 N ILE A 108 4.983 4.317 8.680 1.00 0.13 N ATOM 1691 CA ILE A 108 3.584 4.695 8.754 1.00 0.17 C ATOM 1692 C ILE A 108 3.096 4.712 10.191 1.00 0.23 C ATOM 1693 O ILE A 108 2.470 5.667 10.617 1.00 0.29 O ATOM 1694 CB ILE A 108 2.709 3.755 7.916 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.454 3.418 6.628 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.364 4.403 7.631 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.577 3.086 5.452 1.00 0.15 C ATOM 0 H ILE A 108 5.154 3.405 8.257 1.00 0.13 H new ATOM 0 HA ILE A 108 3.500 5.702 8.346 1.00 0.17 H new ATOM 0 HB ILE A 108 2.513 2.833 8.463 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.088 4.264 6.361 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.114 2.572 6.819 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.753 3.725 7.035 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.857 4.617 8.572 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.517 5.332 7.081 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.199 2.861 4.586 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.961 2.219 5.691 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.934 3.937 5.226 1.00 0.15 H new ATOM 1709 N SER A 109 3.406 3.665 10.942 1.00 0.28 N ATOM 1710 CA SER A 109 3.069 3.610 12.362 1.00 0.37 C ATOM 1711 C SER A 109 3.764 4.749 13.091 1.00 0.37 C ATOM 1712 O SER A 109 3.272 5.269 14.090 1.00 0.43 O ATOM 1713 CB SER A 109 3.486 2.266 12.953 1.00 0.45 C ATOM 1714 OG SER A 109 2.846 1.197 12.273 1.00 1.22 O ATOM 0 H SER A 109 3.892 2.839 10.593 1.00 0.28 H new ATOM 0 HA SER A 109 1.991 3.715 12.481 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.568 2.152 12.882 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.231 2.234 14.012 1.00 0.45 H new ATOM 0 HG SER A 109 3.330 1.001 11.443 1.00 1.22 H new ATOM 1720 N ARG A 110 4.888 5.157 12.529 1.00 0.33 N ATOM 1721 CA ARG A 110 5.659 6.267 13.027 1.00 0.35 C ATOM 1722 C ARG A 110 4.884 7.566 12.822 1.00 0.38 C ATOM 1723 O ARG A 110 4.941 8.477 13.648 1.00 0.48 O ATOM 1724 CB ARG A 110 6.991 6.287 12.274 1.00 0.34 C ATOM 1725 CG ARG A 110 7.556 7.650 12.028 1.00 1.27 C ATOM 1726 CD ARG A 110 8.844 7.538 11.246 1.00 1.25 C ATOM 1727 NE ARG A 110 9.451 8.838 10.975 1.00 2.39 N ATOM 1728 CZ ARG A 110 10.463 9.015 10.126 1.00 2.70 C ATOM 1729 NH1 ARG A 110 10.989 7.972 9.492 1.00 1.97 N ATOM 1730 NH2 ARG A 110 10.953 10.230 9.916 1.00 3.79 N ATOM 0 H ARG A 110 5.291 4.716 11.702 1.00 0.33 H new ATOM 0 HA ARG A 110 5.849 6.164 14.095 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.719 5.704 12.838 1.00 0.34 H new ATOM 0 HB3 ARG A 110 6.857 5.787 11.315 1.00 0.34 H new ATOM 0 HG2 ARG A 110 6.838 8.257 11.477 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.739 8.154 12.977 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.550 6.920 11.802 1.00 1.25 H new ATOM 0 HD3 ARG A 110 8.649 7.028 10.302 1.00 1.25 H new ATOM 0 HE ARG A 110 9.081 9.654 11.462 1.00 2.39 H new ATOM 0 HH11 ARG A 110 10.618 7.036 9.655 1.00 1.97 H new ATOM 0 HH12 ARG A 110 11.763 8.108 8.842 1.00 1.97 H new ATOM 0 HH21 ARG A 110 10.555 11.032 10.405 1.00 3.79 H new ATOM 0 HH22 ARG A 110 11.728 10.362 9.266 1.00 3.79 H new ATOM 1744 N TYR A 111 4.131 7.628 11.731 1.00 0.34 N ATOM 1745 CA TYR A 111 3.371 8.816 11.410 1.00 0.41 C ATOM 1746 C TYR A 111 1.935 8.711 11.911 1.00 0.49 C ATOM 1747 O TYR A 111 1.254 9.719 12.071 1.00 0.60 O ATOM 1748 CB TYR A 111 3.416 9.092 9.911 1.00 0.37 C ATOM 1749 CG TYR A 111 4.683 9.805 9.498 1.00 0.38 C ATOM 1750 CD1 TYR A 111 4.827 11.175 9.678 1.00 0.48 C ATOM 1751 CD2 TYR A 111 5.739 9.103 8.951 1.00 0.34 C ATOM 1752 CE1 TYR A 111 5.994 11.821 9.317 1.00 0.53 C ATOM 1753 CE2 TYR A 111 6.914 9.736 8.589 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.035 11.097 8.776 1.00 0.48 C ATOM 1755 OH TYR A 111 8.203 11.734 8.427 1.00 0.55 O ATOM 0 H TYR A 111 4.034 6.868 11.058 1.00 0.34 H new ATOM 0 HA TYR A 111 3.831 9.660 11.924 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.338 8.150 9.368 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.553 9.695 9.629 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.015 11.744 10.106 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.645 8.037 8.803 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.090 12.887 9.458 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.729 9.170 8.164 1.00 0.40 H new ATOM 0 HH TYR A 111 8.835 11.081 8.062 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.557 -8.044 1.883 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.387 -7.645 2.638 1.00 0.48 C ATOM 2061 C PHE B 261 -4.802 -6.806 3.840 1.00 0.66 C ATOM 2062 O PHE B 261 -5.890 -6.222 3.852 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.427 -6.846 1.752 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.372 -7.323 0.327 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.410 -8.673 0.019 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.315 -6.410 -0.704 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.388 -9.098 -1.292 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.295 -6.828 -2.018 1.00 0.75 C ATOM 2069 CZ PHE B 261 -3.334 -8.174 -2.311 1.00 0.62 C ATOM 0 HA PHE B 261 -3.877 -8.542 2.988 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.726 -5.798 1.763 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.426 -6.896 2.180 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.457 -9.401 0.815 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.286 -5.354 -0.480 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -3.413 -10.154 -1.519 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -3.249 -6.102 -2.816 1.00 0.75 H new ATOM 0 HZ PHE B 261 -3.322 -8.504 -3.339 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.926 -6.742 4.830 1.00 0.55 N ATOM 2080 CA VAL B 262 -4.201 -6.037 6.076 1.00 0.67 C ATOM 2081 C VAL B 262 -2.915 -5.383 6.586 1.00 0.54 C ATOM 2082 O VAL B 262 -1.827 -5.695 6.096 1.00 0.50 O ATOM 2083 CB VAL B 262 -4.737 -7.028 7.134 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -3.667 -8.038 7.499 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -5.242 -6.310 8.376 1.00 1.14 C ATOM 0 H VAL B 262 -3.004 -7.177 4.794 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.953 -5.268 5.896 1.00 0.67 H new ATOM 0 HB VAL B 262 -5.585 -7.554 6.695 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -4.059 -8.729 8.245 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -3.372 -8.594 6.609 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -2.800 -7.518 7.906 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -5.610 -7.042 9.095 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -4.428 -5.740 8.823 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -6.051 -5.633 8.101 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.032 -4.468 7.540 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.858 -3.923 8.194 1.00 0.55 C ATOM 2097 C GLU B 263 -1.376 -4.933 9.232 1.00 0.56 C ATOM 2098 O GLU B 263 -2.098 -5.256 10.176 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.195 -2.585 8.867 1.00 0.73 C ATOM 2100 CG GLU B 263 -0.990 -1.677 9.077 1.00 1.21 C ATOM 2101 CD GLU B 263 -1.297 -0.482 9.957 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -1.880 0.496 9.449 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -0.959 -0.514 11.161 1.00 2.24 O ATOM 0 H GLU B 263 -3.920 -4.093 7.873 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.073 -3.740 7.460 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -2.932 -2.060 8.259 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.661 -2.783 9.832 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -0.181 -2.254 9.526 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -0.633 -1.326 8.109 1.00 1.21 H new