USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 732 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -52:sc= 0.00112 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0285) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.223 X(o=0.22,f=-0.00041) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : B 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0318) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.237 X(o=0.24,f=-0.009) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.400 -18.114 -19.488 1.00 0.77 N ATOM 2 CA GLY A 1 131.247 -18.137 -18.546 1.00 0.81 C ATOM 3 C GLY A 1 131.253 -16.963 -17.583 1.00 0.65 C ATOM 4 O GLY A 1 130.648 -15.926 -17.860 1.00 0.70 O ATOM 0 H1 GLY A 1 132.347 -18.937 -20.122 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.371 -17.240 -20.051 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.289 -18.149 -18.949 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.318 -18.130 -19.116 1.00 0.81 H new ATOM 0 HA3 GLY A 1 131.266 -19.067 -17.978 1.00 0.81 H new ATOM 10 N SER A 2 131.936 -17.128 -16.448 1.00 0.55 N ATOM 11 CA SER A 2 132.016 -16.072 -15.437 1.00 0.48 C ATOM 12 C SER A 2 133.285 -15.240 -15.600 1.00 0.47 C ATOM 13 O SER A 2 133.261 -14.035 -15.373 1.00 0.71 O ATOM 14 CB SER A 2 131.945 -16.668 -14.028 1.00 0.54 C ATOM 15 OG SER A 2 130.946 -16.027 -13.252 1.00 0.67 O ATOM 0 H SER A 2 132.441 -17.981 -16.206 1.00 0.55 H new ATOM 0 HA SER A 2 131.161 -15.411 -15.581 1.00 0.48 H new ATOM 0 HB2 SER A 2 131.732 -17.735 -14.092 1.00 0.54 H new ATOM 0 HB3 SER A 2 132.913 -16.565 -13.537 1.00 0.54 H new ATOM 0 HG SER A 2 130.920 -16.427 -12.358 1.00 0.67 H new ATOM 21 N LEU A 3 134.384 -15.878 -16.015 1.00 0.38 N ATOM 22 CA LEU A 3 135.647 -15.161 -16.232 1.00 0.43 C ATOM 23 C LEU A 3 135.466 -14.221 -17.425 1.00 0.53 C ATOM 24 O LEU A 3 135.834 -14.549 -18.555 1.00 0.88 O ATOM 25 CB LEU A 3 136.810 -16.142 -16.479 1.00 0.48 C ATOM 26 CG LEU A 3 136.637 -17.555 -15.898 1.00 0.85 C ATOM 27 CD1 LEU A 3 137.850 -18.416 -16.216 1.00 1.05 C ATOM 28 CD2 LEU A 3 136.402 -17.501 -14.393 1.00 1.42 C ATOM 0 H LEU A 3 134.427 -16.879 -16.206 1.00 0.38 H new ATOM 0 HA LEU A 3 135.899 -14.587 -15.340 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.963 -16.230 -17.555 1.00 0.48 H new ATOM 0 HB3 LEU A 3 137.719 -15.708 -16.062 1.00 0.48 H new ATOM 0 HG LEU A 3 135.760 -18.006 -16.363 1.00 0.85 H new ATOM 0 HD11 LEU A 3 137.709 -19.412 -15.797 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.970 -18.491 -17.297 1.00 1.05 H new ATOM 0 HD13 LEU A 3 138.742 -17.963 -15.783 1.00 1.05 H new ATOM 0 HD21 LEU A 3 136.283 -18.513 -14.007 1.00 1.42 H new ATOM 0 HD22 LEU A 3 137.255 -17.026 -13.908 1.00 1.42 H new ATOM 0 HD23 LEU A 3 135.500 -16.925 -14.186 1.00 1.42 H new ATOM 40 N THR A 4 134.826 -13.078 -17.162 1.00 0.41 N ATOM 41 CA THR A 4 134.496 -12.101 -18.198 1.00 0.49 C ATOM 42 C THR A 4 134.387 -10.676 -17.623 1.00 0.39 C ATOM 43 O THR A 4 134.903 -10.381 -16.543 1.00 0.39 O ATOM 44 CB THR A 4 133.178 -12.504 -18.889 1.00 0.65 C ATOM 45 OG1 THR A 4 132.079 -12.358 -18.004 1.00 0.64 O ATOM 46 CG2 THR A 4 133.160 -13.929 -19.401 1.00 0.80 C ATOM 0 H THR A 4 134.524 -12.806 -16.226 1.00 0.41 H new ATOM 0 HA THR A 4 135.304 -12.096 -18.930 1.00 0.49 H new ATOM 0 HB THR A 4 133.099 -11.832 -19.744 1.00 0.65 H new ATOM 0 HG1 THR A 4 132.271 -12.826 -17.165 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.199 -14.134 -19.873 1.00 0.80 H new ATOM 0 HG22 THR A 4 133.959 -14.064 -20.130 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.309 -14.617 -18.569 1.00 0.80 H new ATOM 54 N TYR A 5 133.626 -9.836 -18.328 1.00 0.48 N ATOM 55 CA TYR A 5 133.337 -8.480 -17.873 1.00 0.46 C ATOM 56 C TYR A 5 132.208 -8.523 -16.831 1.00 0.42 C ATOM 57 O TYR A 5 132.416 -8.186 -15.669 1.00 0.47 O ATOM 58 CB TYR A 5 132.946 -7.597 -19.057 1.00 0.59 C ATOM 59 CG TYR A 5 132.373 -6.251 -18.668 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.130 -5.328 -17.958 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.073 -5.906 -19.016 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.607 -4.099 -17.605 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.544 -4.679 -18.667 1.00 0.90 C ATOM 64 CZ TYR A 5 131.315 -3.779 -17.962 1.00 0.65 C ATOM 65 OH TYR A 5 130.791 -2.555 -17.614 1.00 0.79 O ATOM 0 H TYR A 5 133.198 -10.076 -19.222 1.00 0.48 H new ATOM 0 HA TYR A 5 134.228 -8.053 -17.413 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.825 -7.438 -19.682 1.00 0.59 H new ATOM 0 HB3 TYR A 5 132.214 -8.128 -19.665 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.143 -5.575 -17.677 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.466 -6.609 -19.568 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.208 -3.392 -17.052 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.532 -4.426 -18.945 1.00 0.90 H new ATOM 0 HH TYR A 5 129.870 -2.488 -17.942 1.00 0.79 H new ATOM 75 N GLU A 6 131.011 -8.904 -17.294 1.00 0.48 N ATOM 76 CA GLU A 6 129.810 -8.987 -16.451 1.00 0.50 C ATOM 77 C GLU A 6 130.145 -9.451 -15.024 1.00 0.38 C ATOM 78 O GLU A 6 129.481 -9.048 -14.067 1.00 0.47 O ATOM 79 CB GLU A 6 128.789 -9.938 -17.080 1.00 0.60 C ATOM 80 CG GLU A 6 127.384 -9.797 -16.511 1.00 0.65 C ATOM 81 CD GLU A 6 126.619 -11.108 -16.510 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.785 -11.892 -15.551 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.854 -11.351 -17.467 1.00 1.16 O ATOM 0 H GLU A 6 130.847 -9.164 -18.266 1.00 0.48 H new ATOM 0 HA GLU A 6 129.385 -7.985 -16.386 1.00 0.50 H new ATOM 0 HB2 GLU A 6 128.755 -9.760 -18.155 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.127 -10.964 -16.938 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.446 -9.416 -15.492 1.00 0.65 H new ATOM 0 HG3 GLU A 6 126.832 -9.059 -17.094 1.00 0.65 H new ATOM 90 N GLU A 7 131.189 -10.282 -14.886 1.00 0.30 N ATOM 91 CA GLU A 7 131.608 -10.771 -13.575 1.00 0.29 C ATOM 92 C GLU A 7 132.524 -9.766 -12.871 1.00 0.28 C ATOM 93 O GLU A 7 132.305 -9.435 -11.704 1.00 0.46 O ATOM 94 CB GLU A 7 132.324 -12.115 -13.708 1.00 0.40 C ATOM 95 CG GLU A 7 132.922 -12.632 -12.405 1.00 0.56 C ATOM 96 CD GLU A 7 134.364 -12.194 -12.205 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.221 -12.573 -13.030 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.634 -11.472 -11.223 1.00 0.81 O ATOM 0 H GLU A 7 131.752 -10.625 -15.664 1.00 0.30 H new ATOM 0 HA GLU A 7 130.710 -10.900 -12.971 1.00 0.29 H new ATOM 0 HB2 GLU A 7 131.620 -12.854 -14.090 1.00 0.40 H new ATOM 0 HB3 GLU A 7 133.119 -12.020 -14.448 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.320 -12.278 -11.568 1.00 0.56 H new ATOM 0 HG3 GLU A 7 132.873 -13.721 -12.395 1.00 0.56 H new ATOM 105 N VAL A 8 133.547 -9.279 -13.586 1.00 0.34 N ATOM 106 CA VAL A 8 134.489 -8.307 -13.026 1.00 0.36 C ATOM 107 C VAL A 8 133.769 -7.047 -12.532 1.00 0.28 C ATOM 108 O VAL A 8 134.236 -6.388 -11.603 1.00 0.39 O ATOM 109 CB VAL A 8 135.591 -7.919 -14.048 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.134 -6.796 -14.970 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.875 -7.529 -13.325 1.00 0.77 C ATOM 0 H VAL A 8 133.741 -9.543 -14.552 1.00 0.34 H new ATOM 0 HA VAL A 8 134.967 -8.791 -12.174 1.00 0.36 H new ATOM 0 HB VAL A 8 135.788 -8.793 -14.668 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.933 -6.553 -15.671 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.251 -7.116 -15.523 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.891 -5.914 -14.377 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.637 -7.260 -14.056 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.681 -6.677 -12.673 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.226 -8.371 -12.728 1.00 0.77 H new ATOM 121 N LEU A 9 132.639 -6.713 -13.168 1.00 0.36 N ATOM 122 CA LEU A 9 131.857 -5.531 -12.796 1.00 0.49 C ATOM 123 C LEU A 9 131.606 -5.485 -11.286 1.00 0.53 C ATOM 124 O LEU A 9 131.780 -4.442 -10.655 1.00 0.73 O ATOM 125 CB LEU A 9 130.517 -5.522 -13.543 1.00 0.66 C ATOM 126 CG LEU A 9 130.350 -4.399 -14.570 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.197 -4.709 -15.513 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.126 -3.063 -13.873 1.00 0.72 C ATOM 0 H LEU A 9 132.247 -7.247 -13.944 1.00 0.36 H new ATOM 0 HA LEU A 9 132.433 -4.649 -13.077 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.397 -6.478 -14.052 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.712 -5.446 -12.812 1.00 0.66 H new ATOM 0 HG LEU A 9 131.267 -4.330 -15.156 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.092 -3.901 -16.237 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.398 -5.643 -16.038 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.275 -4.806 -14.940 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.010 -2.278 -14.620 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.225 -3.118 -13.261 1.00 0.72 H new ATOM 0 HD23 LEU A 9 130.982 -2.836 -13.238 1.00 0.72 H new ATOM 140 N GLN A 10 131.189 -6.622 -10.718 1.00 0.42 N ATOM 141 CA GLN A 10 130.905 -6.719 -9.284 1.00 0.49 C ATOM 142 C GLN A 10 132.151 -6.476 -8.421 1.00 0.43 C ATOM 143 O GLN A 10 132.029 -6.160 -7.237 1.00 0.50 O ATOM 144 CB GLN A 10 130.311 -8.092 -8.956 1.00 0.60 C ATOM 145 CG GLN A 10 128.790 -8.097 -8.886 1.00 0.69 C ATOM 146 CD GLN A 10 128.264 -8.052 -7.461 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.838 -7.391 -6.594 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.163 -8.756 -7.211 1.00 0.84 N ATOM 0 H GLN A 10 131.041 -7.490 -11.233 1.00 0.42 H new ATOM 0 HA GLN A 10 130.185 -5.936 -9.048 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.634 -8.808 -9.712 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.711 -8.433 -8.001 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.403 -7.241 -9.438 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.411 -8.992 -9.380 1.00 0.69 H new ATOM 0 HE21 GLN A 10 126.719 -9.290 -7.958 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.763 -8.762 -6.273 1.00 0.84 H new ATOM 157 N GLU A 11 133.345 -6.594 -9.014 1.00 0.41 N ATOM 158 CA GLU A 11 134.594 -6.360 -8.284 1.00 0.44 C ATOM 159 C GLU A 11 134.809 -4.865 -8.041 1.00 0.40 C ATOM 160 O GLU A 11 135.414 -4.474 -7.043 1.00 0.56 O ATOM 161 CB GLU A 11 135.789 -6.934 -9.052 1.00 0.52 C ATOM 162 CG GLU A 11 135.719 -8.438 -9.261 1.00 0.63 C ATOM 163 CD GLU A 11 137.006 -9.010 -9.828 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.043 -8.946 -9.133 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.976 -9.524 -10.965 1.00 1.64 O ATOM 0 H GLU A 11 133.471 -6.849 -9.993 1.00 0.41 H new ATOM 0 HA GLU A 11 134.516 -6.867 -7.322 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.854 -6.444 -10.024 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.705 -6.694 -8.512 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.498 -8.923 -8.310 1.00 0.63 H new ATOM 0 HG3 GLU A 11 134.895 -8.669 -9.936 1.00 0.63 H new ATOM 172 N LEU A 12 134.302 -4.032 -8.955 1.00 0.34 N ATOM 173 CA LEU A 12 134.430 -2.581 -8.829 1.00 0.34 C ATOM 174 C LEU A 12 133.533 -2.073 -7.700 1.00 0.31 C ATOM 175 O LEU A 12 133.974 -1.306 -6.844 1.00 0.39 O ATOM 176 CB LEU A 12 134.069 -1.891 -10.154 1.00 0.36 C ATOM 177 CG LEU A 12 135.146 -0.964 -10.735 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.350 0.252 -9.843 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.458 -1.712 -10.931 1.00 0.59 C ATOM 0 H LEU A 12 133.800 -4.339 -9.788 1.00 0.34 H new ATOM 0 HA LEU A 12 135.466 -2.340 -8.590 1.00 0.34 H new ATOM 0 HB2 LEU A 12 133.840 -2.659 -10.892 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.158 -1.311 -10.004 1.00 0.36 H new ATOM 0 HG LEU A 12 134.803 -0.619 -11.710 1.00 0.44 H new ATOM 0 HD11 LEU A 12 136.117 0.895 -10.274 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.415 0.806 -9.764 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.664 -0.073 -8.851 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.205 -1.034 -11.344 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.806 -2.095 -9.971 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.304 -2.544 -11.619 1.00 0.59 H new ATOM 191 N VAL A 13 132.272 -2.520 -7.704 1.00 0.26 N ATOM 192 CA VAL A 13 131.306 -2.127 -6.676 1.00 0.26 C ATOM 193 C VAL A 13 131.647 -2.749 -5.313 1.00 0.22 C ATOM 194 O VAL A 13 131.193 -2.265 -4.275 1.00 0.24 O ATOM 195 CB VAL A 13 129.863 -2.520 -7.071 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.691 -4.034 -7.078 1.00 0.61 C ATOM 197 CG2 VAL A 13 128.854 -1.866 -6.135 1.00 0.53 C ATOM 0 H VAL A 13 131.898 -3.155 -8.409 1.00 0.26 H new ATOM 0 HA VAL A 13 131.366 -1.042 -6.594 1.00 0.26 H new ATOM 0 HB VAL A 13 129.679 -2.157 -8.082 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.668 -4.283 -7.359 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.382 -4.475 -7.796 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.900 -4.429 -6.084 1.00 0.61 H new ATOM 0 HG21 VAL A 13 127.845 -2.154 -6.429 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.041 -2.193 -5.112 1.00 0.53 H new ATOM 0 HG23 VAL A 13 128.953 -0.782 -6.193 1.00 0.53 H new ATOM 207 N LYS A 14 132.462 -3.810 -5.322 1.00 0.24 N ATOM 208 CA LYS A 14 132.872 -4.476 -4.088 1.00 0.23 C ATOM 209 C LYS A 14 134.063 -3.754 -3.465 1.00 0.21 C ATOM 210 O LYS A 14 134.051 -3.432 -2.276 1.00 0.28 O ATOM 211 CB LYS A 14 133.231 -5.940 -4.357 1.00 0.30 C ATOM 212 CG LYS A 14 133.109 -6.830 -3.132 1.00 0.84 C ATOM 213 CD LYS A 14 133.412 -8.282 -3.464 1.00 0.68 C ATOM 214 CE LYS A 14 133.110 -9.199 -2.288 1.00 0.73 C ATOM 215 NZ LYS A 14 133.048 -10.630 -2.697 1.00 0.75 N ATOM 0 H LYS A 14 132.848 -4.223 -6.171 1.00 0.24 H new ATOM 0 HA LYS A 14 132.035 -4.445 -3.390 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.582 -6.326 -5.143 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.253 -5.992 -4.733 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.794 -6.482 -2.359 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.101 -6.752 -2.724 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.822 -8.590 -4.327 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.461 -8.381 -3.744 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.877 -9.073 -1.524 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.161 -8.909 -1.837 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.840 -11.220 -1.866 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.299 -10.756 -3.407 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.962 -10.915 -3.104 1.00 0.75 H new ATOM 229 N HIS A 15 135.083 -3.488 -4.284 1.00 0.25 N ATOM 230 CA HIS A 15 136.282 -2.785 -3.827 1.00 0.27 C ATOM 231 C HIS A 15 135.935 -1.371 -3.365 1.00 0.23 C ATOM 232 O HIS A 15 136.520 -0.862 -2.407 1.00 0.43 O ATOM 233 CB HIS A 15 137.324 -2.721 -4.949 1.00 0.33 C ATOM 234 CG HIS A 15 138.011 -4.026 -5.216 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.336 -4.117 -5.586 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.548 -5.298 -5.170 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.657 -5.387 -5.758 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.590 -6.124 -5.511 1.00 0.72 N ATOM 0 H HIS A 15 135.102 -3.750 -5.270 1.00 0.25 H new ATOM 0 HA HIS A 15 136.698 -3.338 -2.985 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.837 -2.384 -5.864 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.074 -1.973 -4.693 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.545 -5.605 -4.913 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.628 -5.759 -6.051 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.547 -7.142 -5.565 1.00 0.72 H new ATOM 247 N LYS A 16 134.985 -0.740 -4.061 1.00 0.21 N ATOM 248 CA LYS A 16 134.558 0.615 -3.729 1.00 0.25 C ATOM 249 C LYS A 16 133.815 0.645 -2.396 1.00 0.32 C ATOM 250 O LYS A 16 134.111 1.480 -1.539 1.00 0.62 O ATOM 251 CB LYS A 16 133.674 1.189 -4.841 1.00 0.37 C ATOM 252 CG LYS A 16 134.450 1.984 -5.880 1.00 0.50 C ATOM 253 CD LYS A 16 133.760 1.967 -7.236 1.00 0.57 C ATOM 254 CE LYS A 16 132.938 3.227 -7.465 1.00 0.59 C ATOM 255 NZ LYS A 16 131.660 3.213 -6.696 1.00 0.66 N ATOM 0 H LYS A 16 134.499 -1.150 -4.858 1.00 0.21 H new ATOM 0 HA LYS A 16 135.451 1.234 -3.636 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.150 0.372 -5.337 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.914 1.831 -4.396 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.560 3.014 -5.541 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.454 1.571 -5.978 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.508 1.872 -8.024 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.113 1.093 -7.304 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.525 4.099 -7.176 1.00 0.59 H new ATOM 0 HE3 LYS A 16 132.719 3.328 -8.528 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.102 4.058 -6.934 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.118 2.360 -6.940 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.868 3.212 -5.677 1.00 0.66 H new ATOM 269 N GLU A 17 132.855 -0.269 -2.218 1.00 0.32 N ATOM 270 CA GLU A 17 132.082 -0.339 -0.980 1.00 0.39 C ATOM 271 C GLU A 17 132.954 -0.790 0.193 1.00 0.32 C ATOM 272 O GLU A 17 132.797 -0.298 1.312 1.00 0.40 O ATOM 273 CB GLU A 17 130.894 -1.291 -1.155 1.00 0.51 C ATOM 274 CG GLU A 17 130.137 -1.582 0.133 1.00 0.80 C ATOM 275 CD GLU A 17 129.677 -3.024 0.225 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.507 -3.890 0.574 1.00 1.47 O ATOM 277 OE2 GLU A 17 128.488 -3.287 -0.053 1.00 1.43 O ATOM 0 H GLU A 17 132.598 -0.967 -2.915 1.00 0.32 H new ATOM 0 HA GLU A 17 131.709 0.660 -0.756 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.203 -0.863 -1.881 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.254 -2.231 -1.573 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.776 -1.353 0.986 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.271 -0.923 0.198 1.00 0.80 H new ATOM 284 N LEU A 18 133.889 -1.711 -0.070 1.00 0.32 N ATOM 285 CA LEU A 18 134.793 -2.199 0.971 1.00 0.34 C ATOM 286 C LEU A 18 135.624 -1.047 1.523 1.00 0.33 C ATOM 287 O LEU A 18 135.797 -0.922 2.738 1.00 0.66 O ATOM 288 CB LEU A 18 135.714 -3.299 0.431 1.00 0.53 C ATOM 289 CG LEU A 18 135.239 -4.731 0.697 1.00 0.67 C ATOM 290 CD1 LEU A 18 135.927 -5.706 -0.248 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.495 -5.120 2.147 1.00 0.79 C ATOM 0 H LEU A 18 134.037 -2.129 -0.989 1.00 0.32 H new ATOM 0 HA LEU A 18 134.190 -2.624 1.773 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.825 -3.163 -0.645 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.703 -3.173 0.872 1.00 0.53 H new ATOM 0 HG LEU A 18 134.165 -4.776 0.515 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.577 -6.718 -0.044 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.691 -5.441 -1.279 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.006 -5.658 -0.098 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.151 -6.140 2.316 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.563 -5.058 2.357 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.955 -4.441 2.807 1.00 0.79 H new ATOM 303 N LEU A 19 136.122 -0.194 0.624 1.00 0.43 N ATOM 304 CA LEU A 19 136.920 0.964 1.019 1.00 0.44 C ATOM 305 C LEU A 19 136.085 1.930 1.863 1.00 0.30 C ATOM 306 O LEU A 19 136.608 2.581 2.769 1.00 0.45 O ATOM 307 CB LEU A 19 137.476 1.680 -0.220 1.00 0.57 C ATOM 308 CG LEU A 19 138.971 1.463 -0.477 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.297 1.641 -1.954 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.803 2.413 0.375 1.00 0.94 C ATOM 0 H LEU A 19 135.985 -0.286 -0.383 1.00 0.43 H new ATOM 0 HA LEU A 19 137.757 0.614 1.623 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.920 1.344 -1.095 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.292 2.749 -0.116 1.00 0.57 H new ATOM 0 HG LEU A 19 139.221 0.440 -0.195 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.364 1.482 -2.113 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.731 0.918 -2.541 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.030 2.651 -2.266 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.862 2.245 0.179 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.547 3.443 0.127 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.596 2.232 1.430 1.00 0.94 H new ATOM 322 N ARG A 20 134.783 2.020 1.558 1.00 0.32 N ATOM 323 CA ARG A 20 133.884 2.907 2.295 1.00 0.50 C ATOM 324 C ARG A 20 133.796 2.484 3.760 1.00 0.40 C ATOM 325 O ARG A 20 134.145 3.263 4.648 1.00 0.47 O ATOM 326 CB ARG A 20 132.486 2.910 1.665 1.00 0.78 C ATOM 327 CG ARG A 20 132.070 4.263 1.108 1.00 0.89 C ATOM 328 CD ARG A 20 131.501 4.139 -0.297 1.00 0.98 C ATOM 329 NE ARG A 20 131.442 5.432 -0.981 1.00 1.06 N ATOM 330 CZ ARG A 20 130.371 6.233 -0.992 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.253 5.885 -0.356 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.420 7.390 -1.642 1.00 1.60 N ATOM 0 H ARG A 20 134.335 1.491 0.810 1.00 0.32 H new ATOM 0 HA ARG A 20 134.290 3.917 2.244 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.457 2.172 0.863 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.759 2.596 2.414 1.00 0.78 H new ATOM 0 HG2 ARG A 20 131.326 4.714 1.764 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.930 4.932 1.095 1.00 0.89 H new ATOM 0 HD2 ARG A 20 132.115 3.450 -0.877 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.500 3.710 -0.246 1.00 0.98 H new ATOM 0 HE ARG A 20 132.274 5.743 -1.483 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.207 4.999 0.147 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.443 6.505 -0.372 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.272 7.665 -2.130 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.605 8.004 -1.653 1.00 1.60 H new ATOM 346 N ARG A 21 133.324 1.254 4.012 1.00 0.36 N ATOM 347 CA ARG A 21 133.189 0.738 5.376 1.00 0.37 C ATOM 348 C ARG A 21 134.443 0.994 6.208 1.00 0.35 C ATOM 349 O ARG A 21 134.342 1.420 7.355 1.00 0.49 O ATOM 350 CB ARG A 21 132.887 -0.763 5.349 1.00 0.47 C ATOM 351 CG ARG A 21 132.342 -1.301 6.664 1.00 0.71 C ATOM 352 CD ARG A 21 132.698 -2.768 6.860 1.00 0.94 C ATOM 353 NE ARG A 21 131.536 -3.567 7.253 1.00 0.95 N ATOM 354 CZ ARG A 21 130.808 -4.309 6.410 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.115 -4.366 5.115 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.767 -4.998 6.866 1.00 1.50 N ATOM 0 H ARG A 21 133.030 0.600 3.286 1.00 0.36 H new ATOM 0 HA ARG A 21 132.360 1.270 5.843 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.166 -0.965 4.557 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.799 -1.304 5.095 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.743 -0.715 7.491 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.259 -1.183 6.685 1.00 0.71 H new ATOM 0 HD2 ARG A 21 133.116 -3.166 5.935 1.00 0.94 H new ATOM 0 HD3 ARG A 21 133.472 -2.854 7.623 1.00 0.94 H new ATOM 0 HE ARG A 21 131.263 -3.558 8.236 1.00 0.95 H new ATOM 0 HH11 ARG A 21 131.912 -3.841 4.756 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.553 -4.935 4.482 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.525 -4.960 7.856 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.210 -5.564 6.226 1.00 1.50 H new ATOM 370 N LYS A 22 135.622 0.740 5.625 1.00 0.33 N ATOM 371 CA LYS A 22 136.891 0.960 6.326 1.00 0.41 C ATOM 372 C LYS A 22 136.845 2.274 7.107 1.00 0.34 C ATOM 373 O LYS A 22 137.163 2.311 8.297 1.00 0.36 O ATOM 374 CB LYS A 22 138.059 0.969 5.335 1.00 0.56 C ATOM 375 CG LYS A 22 139.157 -0.024 5.681 1.00 0.77 C ATOM 376 CD LYS A 22 140.176 -0.143 4.558 1.00 0.95 C ATOM 377 CE LYS A 22 141.335 0.824 4.748 1.00 0.76 C ATOM 378 NZ LYS A 22 142.350 0.298 5.704 1.00 0.71 N ATOM 0 H LYS A 22 135.722 0.384 4.674 1.00 0.33 H new ATOM 0 HA LYS A 22 137.043 0.141 7.029 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.680 0.746 4.337 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.485 1.971 5.298 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.658 0.291 6.596 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.716 -1.001 5.879 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.556 -1.164 4.518 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.690 0.054 3.603 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.809 1.016 3.785 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.955 1.779 5.112 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.122 0.987 5.805 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.905 0.139 6.630 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.732 -0.600 5.345 1.00 0.71 H new ATOM 392 N ASP A 23 136.434 3.347 6.426 1.00 0.34 N ATOM 393 CA ASP A 23 136.322 4.666 7.046 1.00 0.32 C ATOM 394 C ASP A 23 135.142 4.696 8.019 1.00 0.29 C ATOM 395 O ASP A 23 135.304 5.002 9.197 1.00 0.34 O ATOM 396 CB ASP A 23 136.141 5.740 5.966 1.00 0.37 C ATOM 397 CG ASP A 23 137.460 6.324 5.498 1.00 0.78 C ATOM 398 OD1 ASP A 23 138.053 5.765 4.551 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.898 7.340 6.076 1.00 1.15 O ATOM 0 H ASP A 23 136.173 3.325 5.440 1.00 0.34 H new ATOM 0 HA ASP A 23 137.238 4.872 7.600 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.616 5.308 5.114 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.512 6.540 6.356 1.00 0.37 H new ATOM 404 N THR A 24 133.953 4.395 7.500 1.00 0.27 N ATOM 405 CA THR A 24 132.728 4.396 8.303 1.00 0.28 C ATOM 406 C THR A 24 132.925 3.675 9.644 1.00 0.27 C ATOM 407 O THR A 24 132.478 4.159 10.684 1.00 0.32 O ATOM 408 CB THR A 24 131.586 3.742 7.519 1.00 0.31 C ATOM 409 OG1 THR A 24 131.505 4.283 6.211 1.00 0.52 O ATOM 410 CG2 THR A 24 130.229 3.914 8.169 1.00 0.53 C ATOM 0 H THR A 24 133.810 4.146 6.521 1.00 0.27 H new ATOM 0 HA THR A 24 132.475 5.434 8.519 1.00 0.28 H new ATOM 0 HB THR A 24 131.825 2.679 7.498 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.772 3.853 5.724 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.469 3.426 7.559 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.241 3.464 9.162 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.999 4.976 8.255 1.00 0.53 H new ATOM 418 N HIS A 25 133.587 2.517 9.607 1.00 0.27 N ATOM 419 CA HIS A 25 133.836 1.719 10.810 1.00 0.31 C ATOM 420 C HIS A 25 134.766 2.431 11.795 1.00 0.33 C ATOM 421 O HIS A 25 134.539 2.382 13.004 1.00 0.43 O ATOM 422 CB HIS A 25 134.421 0.357 10.430 1.00 0.37 C ATOM 423 CG HIS A 25 133.995 -0.751 11.340 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.319 -0.791 12.679 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.260 -1.863 11.099 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.803 -1.879 13.223 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.156 -2.546 12.286 1.00 0.75 N ATOM 0 H HIS A 25 133.963 2.109 8.751 1.00 0.27 H new ATOM 0 HA HIS A 25 132.877 1.579 11.308 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.122 0.114 9.410 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.509 0.423 10.436 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.835 -2.157 10.151 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.895 -2.172 14.258 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.659 -3.426 12.421 1.00 0.75 H new ATOM 436 N ILE A 26 135.807 3.098 11.294 1.00 0.31 N ATOM 437 CA ILE A 26 136.726 3.812 12.180 1.00 0.35 C ATOM 438 C ILE A 26 136.072 5.075 12.748 1.00 0.34 C ATOM 439 O ILE A 26 136.419 5.516 13.845 1.00 0.46 O ATOM 440 CB ILE A 26 138.047 4.223 11.479 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.781 5.142 10.282 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.830 2.994 11.047 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.982 5.969 9.871 1.00 0.68 C ATOM 0 H ILE A 26 136.032 3.159 10.301 1.00 0.31 H new ATOM 0 HA ILE A 26 136.963 3.111 12.980 1.00 0.35 H new ATOM 0 HB ILE A 26 138.646 4.780 12.200 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.461 4.536 9.434 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.956 5.811 10.525 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.753 3.304 10.557 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.069 2.389 11.922 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.230 2.406 10.352 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.718 6.594 9.018 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.290 6.602 10.703 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.803 5.307 9.595 1.00 0.68 H new ATOM 455 N ARG A 27 135.053 5.591 12.046 1.00 0.29 N ATOM 456 CA ARG A 27 134.299 6.750 12.513 1.00 0.35 C ATOM 457 C ARG A 27 133.282 6.356 13.590 1.00 0.34 C ATOM 458 O ARG A 27 133.147 7.051 14.599 1.00 0.39 O ATOM 459 CB ARG A 27 133.583 7.420 11.339 1.00 0.44 C ATOM 460 CG ARG A 27 133.120 8.838 11.635 1.00 0.52 C ATOM 461 CD ARG A 27 131.668 8.872 12.089 1.00 0.81 C ATOM 462 NE ARG A 27 130.938 10.003 11.516 1.00 0.91 N ATOM 463 CZ ARG A 27 129.813 10.508 12.031 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.270 9.979 13.126 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.226 11.546 11.444 1.00 1.68 N ATOM 0 H ARG A 27 134.736 5.219 11.151 1.00 0.29 H new ATOM 0 HA ARG A 27 135.005 7.454 12.955 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.252 7.438 10.479 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.720 6.816 11.059 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.753 9.274 12.408 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.237 9.453 10.743 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.177 7.942 11.802 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.630 8.930 13.177 1.00 0.81 H new ATOM 0 HE ARG A 27 131.311 10.433 10.670 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.713 9.180 13.580 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.411 10.373 13.510 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.634 11.954 10.603 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.367 11.934 11.834 1.00 1.68 H new ATOM 479 N GLU A 28 132.569 5.240 13.382 1.00 0.33 N ATOM 480 CA GLU A 28 131.581 4.783 14.362 1.00 0.38 C ATOM 481 C GLU A 28 132.277 4.408 15.671 1.00 0.37 C ATOM 482 O GLU A 28 131.889 4.879 16.741 1.00 0.47 O ATOM 483 CB GLU A 28 130.739 3.608 13.829 1.00 0.48 C ATOM 484 CG GLU A 28 131.540 2.484 13.190 1.00 0.81 C ATOM 485 CD GLU A 28 131.541 1.213 14.021 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.498 0.526 14.058 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.585 0.902 14.632 1.00 1.85 O ATOM 0 H GLU A 28 132.657 4.647 12.557 1.00 0.33 H new ATOM 0 HA GLU A 28 130.891 5.606 14.550 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.155 3.196 14.652 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.030 3.992 13.096 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.129 2.267 12.204 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.568 2.816 13.041 1.00 0.81 H new ATOM 494 N LEU A 29 133.318 3.573 15.574 1.00 0.34 N ATOM 495 CA LEU A 29 134.089 3.147 16.745 1.00 0.38 C ATOM 496 C LEU A 29 134.749 4.340 17.451 1.00 0.42 C ATOM 497 O LEU A 29 135.187 4.221 18.597 1.00 0.80 O ATOM 498 CB LEU A 29 135.159 2.132 16.332 1.00 0.48 C ATOM 499 CG LEU A 29 135.370 0.976 17.314 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.091 -0.358 16.637 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.784 1.007 17.880 1.00 0.58 C ATOM 0 H LEU A 29 133.646 3.178 14.692 1.00 0.34 H new ATOM 0 HA LEU A 29 133.396 2.681 17.446 1.00 0.38 H new ATOM 0 HB2 LEU A 29 134.890 1.718 15.360 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.106 2.657 16.204 1.00 0.48 H new ATOM 0 HG LEU A 29 134.668 1.093 18.140 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.246 -1.167 17.350 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.060 -0.378 16.284 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.767 -0.485 15.791 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.916 0.178 18.576 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.504 0.916 17.066 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.946 1.949 18.403 1.00 0.58 H new ATOM 513 N GLU A 30 134.811 5.488 16.766 1.00 0.42 N ATOM 514 CA GLU A 30 135.404 6.695 17.336 1.00 0.46 C ATOM 515 C GLU A 30 134.503 7.275 18.415 1.00 0.46 C ATOM 516 O GLU A 30 134.973 7.651 19.492 1.00 0.61 O ATOM 517 CB GLU A 30 135.627 7.759 16.255 1.00 0.51 C ATOM 518 CG GLU A 30 137.092 8.053 15.981 1.00 0.57 C ATOM 519 CD GLU A 30 137.722 8.935 17.043 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.080 8.408 18.118 1.00 1.33 O ATOM 521 OE2 GLU A 30 137.859 10.152 16.800 1.00 1.24 O ATOM 0 H GLU A 30 134.457 5.603 15.816 1.00 0.42 H new ATOM 0 HA GLU A 30 136.364 6.415 17.770 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.152 7.430 15.331 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.131 8.681 16.557 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.642 7.114 15.922 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.185 8.538 15.010 1.00 0.57 H new ATOM 528 N ASP A 31 133.193 7.271 18.154 1.00 0.43 N ATOM 529 CA ASP A 31 132.208 7.744 19.125 1.00 0.58 C ATOM 530 C ASP A 31 132.171 6.832 20.357 1.00 0.59 C ATOM 531 O ASP A 31 131.874 7.287 21.462 1.00 0.78 O ATOM 532 CB ASP A 31 130.816 7.810 18.481 1.00 0.71 C ATOM 533 CG ASP A 31 130.316 9.234 18.340 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.793 9.781 19.334 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.449 9.804 17.236 1.00 1.73 O ATOM 0 H ASP A 31 132.791 6.944 17.275 1.00 0.43 H new ATOM 0 HA ASP A 31 132.502 8.744 19.445 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.850 7.340 17.498 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.111 7.238 19.084 1.00 0.71 H new ATOM 540 N TYR A 32 132.502 5.548 20.164 1.00 0.51 N ATOM 541 CA TYR A 32 132.536 4.590 21.268 1.00 0.56 C ATOM 542 C TYR A 32 133.669 4.947 22.228 1.00 0.55 C ATOM 543 O TYR A 32 133.500 4.900 23.448 1.00 0.64 O ATOM 544 CB TYR A 32 132.720 3.164 20.742 1.00 0.61 C ATOM 545 CG TYR A 32 131.435 2.522 20.266 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.536 1.970 21.170 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.122 2.469 18.914 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.361 1.384 20.740 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.949 1.885 18.476 1.00 1.19 C ATOM 550 CZ TYR A 32 129.072 1.344 19.392 1.00 1.23 C ATOM 551 OH TYR A 32 127.902 0.761 18.960 1.00 1.55 O ATOM 0 H TYR A 32 132.748 5.154 19.256 1.00 0.51 H new ATOM 0 HA TYR A 32 131.586 4.638 21.800 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.435 3.179 19.919 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.153 2.548 21.530 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.759 1.999 22.226 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.807 2.891 18.193 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.672 0.960 21.456 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.720 1.852 17.421 1.00 1.19 H new ATOM 0 HH TYR A 32 127.850 0.817 17.983 1.00 1.55 H new ATOM 561 N ILE A 33 134.818 5.329 21.663 1.00 0.53 N ATOM 562 CA ILE A 33 135.978 5.726 22.459 1.00 0.62 C ATOM 563 C ILE A 33 135.798 7.147 23.008 1.00 0.58 C ATOM 564 O ILE A 33 136.504 7.555 23.933 1.00 0.77 O ATOM 565 CB ILE A 33 137.289 5.650 21.638 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.419 4.283 20.955 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.495 5.911 22.533 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.183 4.327 19.648 1.00 0.85 C ATOM 0 H ILE A 33 134.968 5.371 20.655 1.00 0.53 H new ATOM 0 HA ILE A 33 136.053 5.024 23.290 1.00 0.62 H new ATOM 0 HB ILE A 33 137.255 6.420 20.867 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.919 3.593 21.635 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.422 3.883 20.770 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.408 5.854 21.940 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.412 6.904 22.976 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.529 5.163 23.325 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.235 3.325 19.223 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.673 4.991 18.950 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.192 4.697 19.829 1.00 0.85 H new ATOM 580 N ASP A 34 134.852 7.900 22.431 1.00 0.49 N ATOM 581 CA ASP A 34 134.583 9.271 22.863 1.00 0.54 C ATOM 582 C ASP A 34 134.052 9.306 24.296 1.00 0.44 C ATOM 583 O ASP A 34 134.361 10.225 25.043 1.00 0.47 O ATOM 584 CB ASP A 34 133.582 9.949 21.919 1.00 0.75 C ATOM 585 CG ASP A 34 134.250 10.928 20.973 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.581 12.049 21.415 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.442 10.575 19.790 1.00 1.49 O ATOM 0 H ASP A 34 134.262 7.579 21.664 1.00 0.49 H new ATOM 0 HA ASP A 34 135.526 9.817 22.832 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.060 9.187 21.340 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.829 10.473 22.508 1.00 0.75 H new ATOM 592 N ASN A 35 133.258 8.297 24.672 1.00 0.53 N ATOM 593 CA ASN A 35 132.688 8.212 26.022 1.00 0.57 C ATOM 594 C ASN A 35 133.733 8.542 27.088 1.00 0.47 C ATOM 595 O ASN A 35 133.436 9.233 28.064 1.00 0.58 O ATOM 596 CB ASN A 35 132.113 6.815 26.276 1.00 0.74 C ATOM 597 CG ASN A 35 130.864 6.541 25.456 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.884 7.283 25.530 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.892 5.469 24.670 1.00 1.32 N ATOM 0 H ASN A 35 132.995 7.526 24.059 1.00 0.53 H new ATOM 0 HA ASN A 35 131.886 8.947 26.087 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.869 6.066 26.041 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.879 6.709 27.335 1.00 0.74 H new ATOM 0 HD21 ASN A 35 130.081 5.235 24.098 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.725 4.881 24.639 1.00 1.32 H new ATOM 606 N LEU A 36 134.962 8.056 26.885 1.00 0.42 N ATOM 607 CA LEU A 36 136.054 8.314 27.822 1.00 0.47 C ATOM 608 C LEU A 36 136.351 9.814 27.892 1.00 0.42 C ATOM 609 O LEU A 36 136.479 10.378 28.979 1.00 0.53 O ATOM 610 CB LEU A 36 137.321 7.549 27.413 1.00 0.66 C ATOM 611 CG LEU A 36 137.106 6.102 26.948 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.439 5.443 26.625 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.353 5.300 28.002 1.00 1.66 C ATOM 0 H LEU A 36 135.222 7.484 26.082 1.00 0.42 H new ATOM 0 HA LEU A 36 135.743 7.965 28.807 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.812 8.100 26.611 1.00 0.66 H new ATOM 0 HB3 LEU A 36 138.007 7.541 28.260 1.00 0.66 H new ATOM 0 HG LEU A 36 136.501 6.121 26.041 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.268 4.418 26.297 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.937 6.000 25.831 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.068 5.439 27.515 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.213 4.278 27.650 1.00 1.66 H new ATOM 0 HD22 LEU A 36 136.926 5.289 28.929 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.381 5.759 28.182 1.00 1.66 H new ATOM 625 N LEU A 37 136.445 10.451 26.720 1.00 0.36 N ATOM 626 CA LEU A 37 136.710 11.887 26.638 1.00 0.40 C ATOM 627 C LEU A 37 135.569 12.615 25.912 1.00 0.32 C ATOM 628 O LEU A 37 135.780 13.259 24.882 1.00 0.42 O ATOM 629 CB LEU A 37 138.045 12.138 25.924 1.00 0.56 C ATOM 630 CG LEU A 37 138.189 11.471 24.550 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.919 12.389 23.581 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.914 10.138 24.677 1.00 0.63 C ATOM 0 H LEU A 37 136.341 9.992 25.815 1.00 0.36 H new ATOM 0 HA LEU A 37 136.772 12.283 27.652 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.177 13.213 25.803 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.853 11.788 26.566 1.00 0.56 H new ATOM 0 HG LEU A 37 137.191 11.283 24.154 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.011 11.897 22.613 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.358 13.316 23.465 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.912 12.612 23.970 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.007 9.679 23.693 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.907 10.302 25.096 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.348 9.477 25.333 1.00 0.63 H new ATOM 644 N VAL A 38 134.358 12.499 26.465 1.00 0.29 N ATOM 645 CA VAL A 38 133.163 13.135 25.897 1.00 0.41 C ATOM 646 C VAL A 38 132.054 13.224 26.954 1.00 0.38 C ATOM 647 O VAL A 38 132.246 12.798 28.095 1.00 0.61 O ATOM 648 CB VAL A 38 132.651 12.383 24.638 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.648 11.296 25.005 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.048 13.358 23.634 1.00 0.99 C ATOM 0 H VAL A 38 134.178 11.965 27.315 1.00 0.29 H new ATOM 0 HA VAL A 38 133.442 14.142 25.586 1.00 0.41 H new ATOM 0 HB VAL A 38 133.509 11.897 24.173 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.311 10.791 24.100 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.122 10.573 25.669 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.793 11.746 25.509 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.696 12.809 22.760 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.211 13.883 24.094 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.805 14.080 23.328 1.00 0.99 H new ATOM 660 N ARG A 39 130.891 13.760 26.574 1.00 0.44 N ATOM 661 CA ARG A 39 129.765 13.877 27.498 1.00 0.47 C ATOM 662 C ARG A 39 129.149 12.503 27.765 1.00 0.53 C ATOM 663 O ARG A 39 128.618 11.865 26.853 1.00 0.86 O ATOM 664 CB ARG A 39 128.707 14.831 26.927 1.00 0.59 C ATOM 665 CG ARG A 39 127.398 14.841 27.703 1.00 0.75 C ATOM 666 CD ARG A 39 127.427 15.853 28.836 1.00 0.97 C ATOM 667 NE ARG A 39 127.023 17.187 28.392 1.00 0.93 N ATOM 668 CZ ARG A 39 126.970 18.256 29.190 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.298 18.155 30.476 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.589 19.430 28.698 1.00 1.48 N ATOM 0 H ARG A 39 130.707 14.118 25.637 1.00 0.44 H new ATOM 0 HA ARG A 39 130.131 14.283 28.441 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.115 15.842 26.910 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.502 14.553 25.893 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.575 15.074 27.027 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.206 13.847 28.107 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.764 15.521 29.635 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.432 15.900 29.254 1.00 0.97 H new ATOM 0 HE ARG A 39 126.766 17.308 27.412 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.592 17.256 30.858 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.255 18.976 31.079 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.338 19.513 27.713 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.548 20.248 29.305 1.00 1.48 H new ATOM 684 N VAL A 40 129.226 12.054 29.018 1.00 0.46 N ATOM 685 CA VAL A 40 128.678 10.754 29.405 1.00 0.53 C ATOM 686 C VAL A 40 127.242 10.886 29.912 1.00 0.53 C ATOM 687 O VAL A 40 126.856 11.925 30.451 1.00 0.66 O ATOM 688 CB VAL A 40 129.537 10.067 30.491 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.874 9.619 29.916 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.743 10.990 31.687 1.00 0.78 C ATOM 0 H VAL A 40 129.662 12.571 29.782 1.00 0.46 H new ATOM 0 HA VAL A 40 128.689 10.135 28.508 1.00 0.53 H new ATOM 0 HB VAL A 40 129.002 9.183 30.837 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.463 9.138 30.697 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.702 8.913 29.104 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.415 10.485 29.535 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.350 10.484 32.437 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.250 11.898 31.362 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.776 11.249 32.118 1.00 0.78 H new ATOM 700 N MET A 41 126.458 9.822 29.734 1.00 0.53 N ATOM 701 CA MET A 41 125.063 9.809 30.172 1.00 0.60 C ATOM 702 C MET A 41 124.786 8.605 31.069 1.00 0.86 C ATOM 703 O MET A 41 123.904 8.646 31.925 1.00 1.20 O ATOM 704 CB MET A 41 124.123 9.790 28.961 1.00 0.75 C ATOM 705 CG MET A 41 124.374 8.634 28.003 1.00 0.56 C ATOM 706 SD MET A 41 122.950 8.277 26.953 1.00 0.67 S ATOM 707 CE MET A 41 123.059 9.604 25.753 1.00 0.54 C ATOM 0 H MET A 41 126.766 8.958 29.289 1.00 0.53 H new ATOM 0 HA MET A 41 124.880 10.717 30.747 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.093 9.739 29.314 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.228 10.729 28.417 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.234 8.868 27.375 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.631 7.743 28.575 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.242 9.515 25.037 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.990 10.564 26.265 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.011 9.541 25.227 1.00 0.54 H new TER 717 MET A 41 ATOM 718 N GLY B 1 135.234 4.809 -27.319 1.00 0.61 N ATOM 719 CA GLY B 1 136.425 4.130 -27.906 1.00 0.61 C ATOM 720 C GLY B 1 136.774 2.840 -27.185 1.00 0.52 C ATOM 721 O GLY B 1 136.622 1.752 -27.742 1.00 0.60 O ATOM 0 H1 GLY B 1 135.038 5.684 -27.847 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.410 4.177 -27.378 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.422 5.041 -26.323 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.235 3.915 -28.957 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.279 4.806 -27.869 1.00 0.61 H new ATOM 727 N SER B 2 137.240 2.966 -25.941 1.00 0.50 N ATOM 728 CA SER B 2 137.611 1.806 -25.129 1.00 0.49 C ATOM 729 C SER B 2 136.723 1.670 -23.897 1.00 0.47 C ATOM 730 O SER B 2 137.015 0.857 -23.026 1.00 0.63 O ATOM 731 CB SER B 2 139.080 1.902 -24.707 1.00 0.55 C ATOM 732 OG SER B 2 139.942 1.815 -25.828 1.00 0.67 O ATOM 0 H SER B 2 137.370 3.863 -25.473 1.00 0.50 H new ATOM 0 HA SER B 2 137.468 0.917 -25.743 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.251 2.844 -24.186 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.312 1.102 -24.004 1.00 0.55 H new ATOM 0 HG SER B 2 140.873 1.881 -25.530 1.00 0.67 H new ATOM 738 N LEU B 3 135.624 2.436 -23.834 1.00 0.48 N ATOM 739 CA LEU B 3 134.698 2.341 -22.706 1.00 0.55 C ATOM 740 C LEU B 3 134.032 0.972 -22.743 1.00 0.65 C ATOM 741 O LEU B 3 132.896 0.824 -23.199 1.00 1.02 O ATOM 742 CB LEU B 3 133.649 3.461 -22.759 1.00 0.62 C ATOM 743 CG LEU B 3 133.935 4.654 -21.843 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.154 5.421 -22.332 1.00 0.61 C ATOM 745 CD2 LEU B 3 132.720 5.568 -21.762 1.00 0.76 C ATOM 0 H LEU B 3 135.360 3.119 -24.544 1.00 0.48 H new ATOM 0 HA LEU B 3 135.247 2.459 -21.772 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.573 3.819 -23.786 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.678 3.043 -22.494 1.00 0.62 H new ATOM 0 HG LEU B 3 134.147 4.278 -20.842 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.343 6.265 -21.669 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.022 4.761 -22.335 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.973 5.787 -23.343 1.00 0.61 H new ATOM 0 HD21 LEU B 3 132.941 6.410 -21.107 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.476 5.937 -22.758 1.00 0.76 H new ATOM 0 HD23 LEU B 3 131.872 5.011 -21.363 1.00 0.76 H new ATOM 757 N THR B 4 134.775 -0.032 -22.286 1.00 0.46 N ATOM 758 CA THR B 4 134.325 -1.415 -22.278 1.00 0.55 C ATOM 759 C THR B 4 135.071 -2.188 -21.184 1.00 0.42 C ATOM 760 O THR B 4 135.576 -1.589 -20.231 1.00 0.43 O ATOM 761 CB THR B 4 134.571 -2.058 -23.653 1.00 0.72 C ATOM 762 OG1 THR B 4 135.951 -2.038 -23.976 1.00 0.70 O ATOM 763 CG2 THR B 4 133.829 -1.377 -24.784 1.00 0.90 C ATOM 0 H THR B 4 135.714 0.096 -21.908 1.00 0.46 H new ATOM 0 HA THR B 4 133.256 -1.447 -22.070 1.00 0.55 H new ATOM 0 HB THR B 4 134.197 -3.078 -23.560 1.00 0.72 H new ATOM 0 HG1 THR B 4 136.088 -2.453 -24.853 1.00 0.70 H new ATOM 0 HG21 THR B 4 134.051 -1.885 -25.723 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.757 -1.419 -24.593 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.145 -0.336 -24.851 1.00 0.90 H new ATOM 771 N TYR B 5 135.124 -3.513 -21.312 1.00 0.50 N ATOM 772 CA TYR B 5 135.793 -4.372 -20.326 1.00 0.45 C ATOM 773 C TYR B 5 137.276 -4.052 -20.332 1.00 0.41 C ATOM 774 O TYR B 5 137.820 -3.578 -19.340 1.00 0.46 O ATOM 775 CB TYR B 5 135.556 -5.856 -20.662 1.00 0.57 C ATOM 776 CG TYR B 5 136.452 -6.819 -19.908 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.394 -6.921 -18.523 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.357 -7.625 -20.587 1.00 0.80 C ATOM 779 CE1 TYR B 5 137.213 -7.797 -17.837 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.178 -8.505 -19.909 1.00 0.92 C ATOM 781 CZ TYR B 5 138.103 -8.587 -18.535 1.00 0.67 C ATOM 782 OH TYR B 5 138.921 -9.461 -17.855 1.00 0.84 O ATOM 0 H TYR B 5 134.710 -4.021 -22.093 1.00 0.50 H new ATOM 0 HA TYR B 5 135.384 -4.185 -19.333 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.516 -6.103 -20.448 1.00 0.57 H new ATOM 0 HB3 TYR B 5 135.705 -6.002 -21.732 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.697 -6.305 -17.974 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.420 -7.563 -21.663 1.00 0.80 H new ATOM 0 HE1 TYR B 5 137.157 -7.863 -16.760 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.875 -9.126 -20.453 1.00 0.92 H new ATOM 0 HH TYR B 5 139.487 -9.943 -18.493 1.00 0.84 H new ATOM 792 N GLU B 6 137.910 -4.332 -21.472 1.00 0.49 N ATOM 793 CA GLU B 6 139.341 -4.086 -21.674 1.00 0.50 C ATOM 794 C GLU B 6 139.808 -2.808 -20.959 1.00 0.38 C ATOM 795 O GLU B 6 140.951 -2.731 -20.510 1.00 0.44 O ATOM 796 CB GLU B 6 139.649 -3.986 -23.172 1.00 0.62 C ATOM 797 CG GLU B 6 141.128 -4.123 -23.505 1.00 0.68 C ATOM 798 CD GLU B 6 141.532 -3.311 -24.722 1.00 0.83 C ATOM 799 OE1 GLU B 6 141.817 -2.105 -24.563 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.564 -3.881 -25.833 1.00 1.14 O ATOM 0 H GLU B 6 137.445 -4.737 -22.284 1.00 0.49 H new ATOM 0 HA GLU B 6 139.884 -4.926 -21.242 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.094 -4.761 -23.700 1.00 0.62 H new ATOM 0 HB3 GLU B 6 139.290 -3.027 -23.544 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.720 -3.804 -22.647 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.361 -5.173 -23.680 1.00 0.68 H new ATOM 807 N GLU B 7 138.911 -1.818 -20.838 1.00 0.32 N ATOM 808 CA GLU B 7 139.237 -0.567 -20.157 1.00 0.29 C ATOM 809 C GLU B 7 139.064 -0.698 -18.640 1.00 0.27 C ATOM 810 O GLU B 7 139.957 -0.329 -17.876 1.00 0.43 O ATOM 811 CB GLU B 7 138.366 0.574 -20.684 1.00 0.43 C ATOM 812 CG GLU B 7 138.541 1.886 -19.931 1.00 0.57 C ATOM 813 CD GLU B 7 137.564 2.038 -18.779 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.342 2.070 -19.034 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.021 2.127 -17.620 1.00 0.80 O ATOM 0 H GLU B 7 137.960 -1.864 -21.203 1.00 0.32 H new ATOM 0 HA GLU B 7 140.283 -0.341 -20.364 1.00 0.29 H new ATOM 0 HB2 GLU B 7 138.597 0.738 -21.737 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.320 0.273 -20.631 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.560 1.947 -19.548 1.00 0.57 H new ATOM 0 HG3 GLU B 7 138.411 2.717 -20.624 1.00 0.57 H new ATOM 822 N VAL B 8 137.909 -1.224 -18.211 1.00 0.35 N ATOM 823 CA VAL B 8 137.621 -1.402 -16.786 1.00 0.37 C ATOM 824 C VAL B 8 138.679 -2.275 -16.102 1.00 0.28 C ATOM 825 O VAL B 8 138.939 -2.118 -14.909 1.00 0.40 O ATOM 826 CB VAL B 8 136.215 -2.010 -16.552 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.240 -3.531 -16.634 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.654 -1.557 -15.209 1.00 0.78 C ATOM 0 H VAL B 8 137.161 -1.533 -18.832 1.00 0.35 H new ATOM 0 HA VAL B 8 137.645 -0.407 -16.341 1.00 0.37 H new ATOM 0 HB VAL B 8 135.562 -1.647 -17.346 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.236 -3.921 -16.465 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.586 -3.836 -17.621 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.915 -3.925 -15.875 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.666 -1.994 -15.061 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.318 -1.883 -14.409 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.576 -0.470 -15.195 1.00 0.78 H new ATOM 838 N LEU B 9 139.288 -3.190 -16.867 1.00 0.35 N ATOM 839 CA LEU B 9 140.323 -4.082 -16.339 1.00 0.49 C ATOM 840 C LEU B 9 141.390 -3.299 -15.571 1.00 0.52 C ATOM 841 O LEU B 9 141.778 -3.687 -14.467 1.00 0.74 O ATOM 842 CB LEU B 9 140.980 -4.871 -17.478 1.00 0.65 C ATOM 843 CG LEU B 9 140.712 -6.378 -17.468 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.055 -6.987 -18.819 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.505 -7.057 -16.358 1.00 0.76 C ATOM 0 H LEU B 9 139.080 -3.331 -17.856 1.00 0.35 H new ATOM 0 HA LEU B 9 139.843 -4.777 -15.650 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.634 -4.463 -18.428 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.057 -4.710 -17.436 1.00 0.65 H new ATOM 0 HG LEU B 9 139.651 -6.538 -17.276 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.859 -8.059 -18.795 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.443 -6.523 -19.593 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.109 -6.816 -19.038 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.301 -8.128 -16.368 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.570 -6.889 -16.517 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.212 -6.640 -15.394 1.00 0.76 H new ATOM 857 N GLN B 10 141.868 -2.200 -16.166 1.00 0.41 N ATOM 858 CA GLN B 10 142.899 -1.363 -15.545 1.00 0.48 C ATOM 859 C GLN B 10 142.426 -0.733 -14.226 1.00 0.42 C ATOM 860 O GLN B 10 143.250 -0.315 -13.413 1.00 0.48 O ATOM 861 CB GLN B 10 143.342 -0.266 -16.521 1.00 0.58 C ATOM 862 CG GLN B 10 144.608 -0.614 -17.293 1.00 0.66 C ATOM 863 CD GLN B 10 145.850 0.048 -16.722 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.988 0.194 -15.506 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.767 0.450 -17.599 1.00 0.83 N ATOM 0 H GLN B 10 141.556 -1.870 -17.079 1.00 0.41 H new ATOM 0 HA GLN B 10 143.743 -2.011 -15.310 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.536 -0.073 -17.229 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.507 0.658 -15.966 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.744 -1.695 -17.289 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.487 -0.312 -18.333 1.00 0.66 H new ATOM 0 HE21 GLN B 10 146.614 0.310 -18.598 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.623 0.898 -17.272 1.00 0.83 H new ATOM 874 N GLU B 11 141.106 -0.673 -14.012 1.00 0.40 N ATOM 875 CA GLU B 11 140.551 -0.103 -12.780 1.00 0.42 C ATOM 876 C GLU B 11 140.748 -1.056 -11.598 1.00 0.37 C ATOM 877 O GLU B 11 140.891 -0.618 -10.457 1.00 0.54 O ATOM 878 CB GLU B 11 139.059 0.201 -12.945 1.00 0.48 C ATOM 879 CG GLU B 11 138.754 1.218 -14.034 1.00 0.62 C ATOM 880 CD GLU B 11 137.302 1.660 -14.030 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.872 2.283 -13.036 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.595 1.383 -15.021 1.00 1.61 O ATOM 0 H GLU B 11 140.406 -1.011 -14.673 1.00 0.40 H new ATOM 0 HA GLU B 11 141.085 0.826 -12.579 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.532 -0.726 -13.170 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.666 0.569 -11.997 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.395 2.089 -13.902 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.996 0.788 -15.006 1.00 0.62 H new ATOM 889 N LEU B 12 140.779 -2.361 -11.887 1.00 0.32 N ATOM 890 CA LEU B 12 140.982 -3.373 -10.854 1.00 0.30 C ATOM 891 C LEU B 12 142.430 -3.342 -10.364 1.00 0.28 C ATOM 892 O LEU B 12 142.684 -3.318 -9.159 1.00 0.36 O ATOM 893 CB LEU B 12 140.631 -4.770 -11.385 1.00 0.32 C ATOM 894 CG LEU B 12 139.583 -5.544 -10.574 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.124 -5.905 -9.198 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.294 -4.742 -10.450 1.00 0.54 C ATOM 0 H LEU B 12 140.666 -2.738 -12.828 1.00 0.32 H new ATOM 0 HA LEU B 12 140.320 -3.148 -10.017 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.271 -4.670 -12.409 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.544 -5.364 -11.425 1.00 0.32 H new ATOM 0 HG LEU B 12 139.359 -6.468 -11.106 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.364 -6.453 -8.641 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.013 -6.527 -9.308 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.383 -4.994 -8.658 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.566 -5.311 -9.871 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.500 -3.798 -9.946 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.892 -4.543 -11.444 1.00 0.54 H new ATOM 908 N VAL B 13 143.373 -3.320 -11.311 1.00 0.25 N ATOM 909 CA VAL B 13 144.801 -3.269 -10.985 1.00 0.26 C ATOM 910 C VAL B 13 145.200 -1.906 -10.399 1.00 0.22 C ATOM 911 O VAL B 13 146.235 -1.789 -9.739 1.00 0.26 O ATOM 912 CB VAL B 13 145.677 -3.569 -12.226 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.567 -2.452 -13.257 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.128 -3.786 -11.818 1.00 0.52 C ATOM 0 H VAL B 13 143.172 -3.337 -12.311 1.00 0.25 H new ATOM 0 HA VAL B 13 144.975 -4.039 -10.234 1.00 0.26 H new ATOM 0 HB VAL B 13 145.309 -4.486 -12.686 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.192 -2.689 -14.118 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.530 -2.354 -13.578 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.900 -1.514 -12.814 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.728 -3.996 -12.704 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.506 -2.889 -11.328 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.190 -4.629 -11.130 1.00 0.52 H new ATOM 924 N LYS B 14 144.368 -0.884 -10.627 1.00 0.24 N ATOM 925 CA LYS B 14 144.634 0.455 -10.105 1.00 0.25 C ATOM 926 C LYS B 14 144.148 0.563 -8.661 1.00 0.22 C ATOM 927 O LYS B 14 144.885 1.007 -7.782 1.00 0.29 O ATOM 928 CB LYS B 14 143.954 1.518 -10.974 1.00 0.34 C ATOM 929 CG LYS B 14 144.607 2.887 -10.882 1.00 0.87 C ATOM 930 CD LYS B 14 143.938 3.888 -11.811 1.00 0.75 C ATOM 931 CE LYS B 14 144.703 5.202 -11.857 1.00 0.70 C ATOM 932 NZ LYS B 14 144.289 6.048 -13.012 1.00 0.72 N ATOM 0 H LYS B 14 143.507 -0.961 -11.169 1.00 0.24 H new ATOM 0 HA LYS B 14 145.710 0.628 -10.129 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.966 1.188 -12.013 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.908 1.603 -10.678 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.552 3.249 -9.855 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.664 2.805 -11.135 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.873 3.468 -12.815 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.917 4.071 -11.476 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.539 5.750 -10.929 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.772 4.997 -11.922 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.834 6.934 -13.007 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.469 5.536 -13.899 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.275 6.265 -12.937 1.00 0.72 H new ATOM 946 N HIS B 15 142.900 0.148 -8.432 1.00 0.24 N ATOM 947 CA HIS B 15 142.303 0.185 -7.096 1.00 0.27 C ATOM 948 C HIS B 15 143.064 -0.729 -6.136 1.00 0.25 C ATOM 949 O HIS B 15 143.222 -0.409 -4.956 1.00 0.45 O ATOM 950 CB HIS B 15 140.835 -0.248 -7.153 1.00 0.33 C ATOM 951 CG HIS B 15 139.921 0.778 -7.747 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.628 0.974 -7.312 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.115 1.664 -8.753 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.066 1.934 -8.024 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.948 2.370 -8.906 1.00 0.76 N ATOM 0 H HIS B 15 142.283 -0.218 -9.157 1.00 0.24 H new ATOM 0 HA HIS B 15 142.363 1.211 -6.732 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.760 -1.167 -7.735 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.496 -0.481 -6.144 1.00 0.33 H new ATOM 0 HD2 HIS B 15 141.020 1.791 -9.328 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.057 2.300 -7.905 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.788 3.110 -9.589 1.00 0.76 H new ATOM 964 N LYS B 16 143.545 -1.860 -6.658 1.00 0.21 N ATOM 965 CA LYS B 16 144.299 -2.819 -5.858 1.00 0.27 C ATOM 966 C LYS B 16 145.660 -2.256 -5.466 1.00 0.36 C ATOM 967 O LYS B 16 146.046 -2.321 -4.296 1.00 0.69 O ATOM 968 CB LYS B 16 144.473 -4.138 -6.618 1.00 0.35 C ATOM 969 CG LYS B 16 143.384 -5.156 -6.313 1.00 0.46 C ATOM 970 CD LYS B 16 143.166 -6.112 -7.476 1.00 0.49 C ATOM 971 CE LYS B 16 143.903 -7.428 -7.268 1.00 0.53 C ATOM 972 NZ LYS B 16 145.368 -7.297 -7.511 1.00 0.61 N ATOM 0 H LYS B 16 143.424 -2.131 -7.634 1.00 0.21 H new ATOM 0 HA LYS B 16 143.732 -3.011 -4.947 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.481 -3.934 -7.689 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.443 -4.568 -6.368 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.655 -5.723 -5.422 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.452 -4.636 -6.089 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.100 -6.306 -7.593 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.508 -5.645 -8.400 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.735 -7.780 -6.250 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.491 -8.183 -7.938 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.819 -8.230 -7.424 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.529 -6.922 -8.468 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.779 -6.647 -6.811 1.00 0.61 H new ATOM 986 N GLU B 17 146.390 -1.695 -6.436 1.00 0.30 N ATOM 987 CA GLU B 17 147.707 -1.118 -6.171 1.00 0.38 C ATOM 988 C GLU B 17 147.595 0.136 -5.303 1.00 0.32 C ATOM 989 O GLU B 17 148.439 0.370 -4.436 1.00 0.40 O ATOM 990 CB GLU B 17 148.412 -0.792 -7.494 1.00 0.51 C ATOM 991 CG GLU B 17 149.709 -0.012 -7.332 1.00 0.80 C ATOM 992 CD GLU B 17 149.899 1.032 -8.415 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.289 2.117 -8.307 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.656 0.765 -9.372 1.00 1.47 O ATOM 0 H GLU B 17 146.090 -1.630 -7.409 1.00 0.30 H new ATOM 0 HA GLU B 17 148.299 -1.852 -5.624 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.624 -1.723 -8.019 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.732 -0.218 -8.124 1.00 0.51 H new ATOM 0 HG2 GLU B 17 149.717 0.475 -6.357 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.550 -0.705 -7.349 1.00 0.80 H new ATOM 1001 N LEU B 18 146.547 0.935 -5.529 1.00 0.32 N ATOM 1002 CA LEU B 18 146.333 2.154 -4.747 1.00 0.34 C ATOM 1003 C LEU B 18 146.162 1.807 -3.269 1.00 0.35 C ATOM 1004 O LEU B 18 146.732 2.465 -2.398 1.00 0.66 O ATOM 1005 CB LEU B 18 145.106 2.923 -5.251 1.00 0.51 C ATOM 1006 CG LEU B 18 145.407 4.058 -6.236 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.158 4.434 -7.018 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.964 5.270 -5.500 1.00 0.75 C ATOM 0 H LEU B 18 145.839 0.760 -6.242 1.00 0.32 H new ATOM 0 HA LEU B 18 147.209 2.792 -4.867 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.427 2.218 -5.730 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.580 3.339 -4.392 1.00 0.51 H new ATOM 0 HG LEU B 18 146.160 3.709 -6.942 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.392 5.241 -7.712 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.804 3.567 -7.576 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.382 4.763 -6.327 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.172 6.066 -6.215 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.234 5.620 -4.770 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.885 4.993 -4.988 1.00 0.75 H new ATOM 1020 N LEU B 19 145.386 0.751 -3.004 1.00 0.45 N ATOM 1021 CA LEU B 19 145.152 0.293 -1.638 1.00 0.47 C ATOM 1022 C LEU B 19 146.457 -0.183 -0.996 1.00 0.33 C ATOM 1023 O LEU B 19 146.656 -0.017 0.210 1.00 0.45 O ATOM 1024 CB LEU B 19 144.115 -0.835 -1.617 1.00 0.63 C ATOM 1025 CG LEU B 19 142.730 -0.430 -1.102 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.656 -1.346 -1.673 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.699 -0.449 0.421 1.00 0.96 C ATOM 0 H LEU B 19 144.911 0.200 -3.719 1.00 0.45 H new ATOM 0 HA LEU B 19 144.766 1.134 -1.062 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.009 -1.230 -2.627 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.495 -1.646 -0.995 1.00 0.63 H new ATOM 0 HG LEU B 19 142.524 0.587 -1.436 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.680 -1.042 -1.295 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.661 -1.279 -2.761 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.857 -2.374 -1.372 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.707 -0.159 0.768 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.929 -1.453 0.777 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.439 0.251 0.809 1.00 0.96 H new ATOM 1039 N ARG B 20 147.353 -0.758 -1.810 1.00 0.35 N ATOM 1040 CA ARG B 20 148.642 -1.238 -1.313 1.00 0.49 C ATOM 1041 C ARG B 20 149.473 -0.079 -0.776 1.00 0.40 C ATOM 1042 O ARG B 20 149.823 -0.068 0.406 1.00 0.49 O ATOM 1043 CB ARG B 20 149.412 -1.968 -2.420 1.00 0.76 C ATOM 1044 CG ARG B 20 149.649 -3.442 -2.129 1.00 0.85 C ATOM 1045 CD ARG B 20 149.288 -4.314 -3.321 1.00 0.96 C ATOM 1046 NE ARG B 20 149.155 -5.723 -2.948 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.142 -6.623 -3.031 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.348 -6.273 -3.473 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.919 -7.881 -2.666 1.00 1.59 N ATOM 0 H ARG B 20 147.207 -0.900 -2.809 1.00 0.35 H new ATOM 0 HA ARG B 20 148.452 -1.940 -0.501 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.861 -1.875 -3.356 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.374 -1.476 -2.567 1.00 0.76 H new ATOM 0 HG2 ARG B 20 150.696 -3.598 -1.867 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.056 -3.743 -1.265 1.00 0.85 H new ATOM 0 HD2 ARG B 20 148.352 -3.964 -3.756 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.054 -4.213 -4.090 1.00 0.96 H new ATOM 0 HE ARG B 20 148.250 -6.040 -2.602 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.528 -5.309 -3.753 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.092 -6.969 -3.531 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.999 -8.157 -2.324 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.668 -8.570 -2.728 1.00 1.59 H new ATOM 1063 N ARG B 21 149.803 0.894 -1.639 1.00 0.35 N ATOM 1064 CA ARG B 21 150.606 2.052 -1.237 1.00 0.35 C ATOM 1065 C ARG B 21 150.110 2.657 0.073 1.00 0.34 C ATOM 1066 O ARG B 21 150.914 2.974 0.945 1.00 0.47 O ATOM 1067 CB ARG B 21 150.592 3.115 -2.342 1.00 0.45 C ATOM 1068 CG ARG B 21 151.693 4.156 -2.205 1.00 0.70 C ATOM 1069 CD ARG B 21 151.281 5.491 -2.810 1.00 0.98 C ATOM 1070 NE ARG B 21 152.313 6.035 -3.694 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.300 5.925 -5.028 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.306 5.292 -5.650 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.288 6.453 -5.744 1.00 1.53 N ATOM 0 H ARG B 21 149.524 0.899 -2.620 1.00 0.35 H new ATOM 0 HA ARG B 21 151.627 1.705 -1.079 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.689 2.622 -3.309 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.625 3.619 -2.337 1.00 0.45 H new ATOM 0 HG2 ARG B 21 151.936 4.293 -1.151 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.597 3.797 -2.696 1.00 0.70 H new ATOM 0 HD2 ARG B 21 150.354 5.365 -3.370 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.076 6.203 -2.011 1.00 0.98 H new ATOM 0 HE ARG B 21 153.094 6.531 -3.265 1.00 0.97 H new ATOM 0 HH11 ARG B 21 150.543 4.884 -5.109 1.00 2.12 H new ATOM 0 HH12 ARG B 21 151.308 5.215 -6.667 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.053 6.940 -5.277 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.281 6.371 -6.761 1.00 1.53 H new ATOM 1087 N LYS B 22 148.789 2.821 0.203 1.00 0.30 N ATOM 1088 CA LYS B 22 148.200 3.392 1.418 1.00 0.36 C ATOM 1089 C LYS B 22 148.881 2.824 2.666 1.00 0.31 C ATOM 1090 O LYS B 22 149.307 3.573 3.546 1.00 0.36 O ATOM 1091 CB LYS B 22 146.695 3.109 1.470 1.00 0.47 C ATOM 1092 CG LYS B 22 145.846 4.359 1.642 1.00 0.69 C ATOM 1093 CD LYS B 22 144.366 4.057 1.460 1.00 0.86 C ATOM 1094 CE LYS B 22 143.696 3.723 2.785 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.337 4.948 3.554 1.00 0.70 N ATOM 0 H LYS B 22 148.110 2.568 -0.515 1.00 0.30 H new ATOM 0 HA LYS B 22 148.355 4.471 1.395 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.397 2.601 0.553 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.491 2.425 2.294 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.013 4.780 2.633 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.156 5.113 0.919 1.00 0.69 H new ATOM 0 HD2 LYS B 22 143.871 4.917 1.008 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.247 3.221 0.770 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.797 3.136 2.599 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.364 3.103 3.383 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.883 4.675 4.449 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.198 5.496 3.755 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.679 5.528 2.995 1.00 0.70 H new ATOM 1109 N ASP B 23 149.007 1.496 2.708 1.00 0.32 N ATOM 1110 CA ASP B 23 149.663 0.812 3.820 1.00 0.32 C ATOM 1111 C ASP B 23 151.174 1.043 3.777 1.00 0.30 C ATOM 1112 O ASP B 23 151.764 1.538 4.734 1.00 0.37 O ATOM 1113 CB ASP B 23 149.369 -0.690 3.762 1.00 0.36 C ATOM 1114 CG ASP B 23 148.134 -1.072 4.554 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.027 -1.041 3.977 1.00 1.15 O ATOM 1116 OD2 ASP B 23 148.275 -1.402 5.750 1.00 1.11 O ATOM 0 H ASP B 23 148.661 0.872 1.980 1.00 0.32 H new ATOM 0 HA ASP B 23 149.272 1.219 4.752 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.237 -0.991 2.723 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.228 -1.240 4.147 1.00 0.36 H new ATOM 1121 N THR B 24 151.791 0.673 2.656 1.00 0.28 N ATOM 1122 CA THR B 24 153.235 0.828 2.470 1.00 0.29 C ATOM 1123 C THR B 24 153.721 2.217 2.906 1.00 0.27 C ATOM 1124 O THR B 24 154.752 2.337 3.569 1.00 0.32 O ATOM 1125 CB THR B 24 153.604 0.579 1.003 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.012 -0.622 0.536 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.096 0.476 0.762 1.00 0.55 C ATOM 0 H THR B 24 151.310 0.261 1.857 1.00 0.28 H new ATOM 0 HA THR B 24 153.731 0.091 3.102 1.00 0.29 H new ATOM 0 HB THR B 24 153.227 1.447 0.462 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.257 -0.764 -0.402 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.282 0.300 -0.297 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.579 1.405 1.065 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.502 -0.351 1.344 1.00 0.55 H new ATOM 1135 N HIS B 25 152.980 3.258 2.519 1.00 0.26 N ATOM 1136 CA HIS B 25 153.336 4.638 2.854 1.00 0.29 C ATOM 1137 C HIS B 25 153.259 4.907 4.358 1.00 0.31 C ATOM 1138 O HIS B 25 154.125 5.590 4.908 1.00 0.41 O ATOM 1139 CB HIS B 25 152.429 5.615 2.104 1.00 0.34 C ATOM 1140 CG HIS B 25 153.112 6.890 1.719 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.606 7.787 2.642 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.387 7.415 0.502 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.155 8.808 2.010 1.00 0.72 C ATOM 1144 NE2 HIS B 25 154.036 8.607 0.711 1.00 0.74 N ATOM 0 H HIS B 25 152.125 3.170 1.970 1.00 0.26 H new ATOM 0 HA HIS B 25 154.371 4.787 2.546 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.050 5.129 1.205 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.566 5.849 2.727 1.00 0.34 H new ATOM 0 HD2 HIS B 25 153.142 6.978 -0.455 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.622 9.663 2.477 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.372 9.235 -0.019 1.00 0.74 H new ATOM 1153 N ILE B 26 152.238 4.372 5.033 1.00 0.29 N ATOM 1154 CA ILE B 26 152.121 4.576 6.474 1.00 0.35 C ATOM 1155 C ILE B 26 153.255 3.835 7.184 1.00 0.35 C ATOM 1156 O ILE B 26 153.666 4.223 8.279 1.00 0.47 O ATOM 1157 CB ILE B 26 150.732 4.181 7.037 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.411 2.711 6.766 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.653 5.081 6.442 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.341 2.147 7.676 1.00 0.68 C ATOM 0 H ILE B 26 151.498 3.808 4.615 1.00 0.29 H new ATOM 0 HA ILE B 26 152.212 5.645 6.668 1.00 0.35 H new ATOM 0 HB ILE B 26 150.756 4.317 8.118 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.089 2.603 5.730 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.321 2.122 6.880 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.680 4.797 6.843 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.862 6.119 6.700 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.645 4.971 5.358 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.165 1.101 7.426 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.668 2.223 8.713 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.418 2.711 7.545 1.00 0.68 H new ATOM 1172 N ARG B 27 153.705 2.717 6.595 1.00 0.31 N ATOM 1173 CA ARG B 27 154.754 1.894 7.191 1.00 0.37 C ATOM 1174 C ARG B 27 156.121 2.554 7.033 1.00 0.34 C ATOM 1175 O ARG B 27 156.914 2.572 7.975 1.00 0.39 O ATOM 1176 CB ARG B 27 154.766 0.501 6.547 1.00 0.46 C ATOM 1177 CG ARG B 27 155.534 -0.540 7.349 1.00 0.53 C ATOM 1178 CD ARG B 27 156.969 -0.678 6.860 1.00 0.80 C ATOM 1179 NE ARG B 27 157.413 -2.072 6.839 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.695 -2.450 6.849 1.00 0.92 C ATOM 1181 NH1 ARG B 27 159.670 -1.543 6.867 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.001 -3.743 6.838 1.00 1.67 N ATOM 0 H ARG B 27 153.354 2.366 5.704 1.00 0.31 H new ATOM 0 HA ARG B 27 154.542 1.793 8.255 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.738 0.161 6.419 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.204 0.575 5.552 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.533 -0.261 8.403 1.00 0.53 H new ATOM 0 HG3 ARG B 27 155.029 -1.503 7.274 1.00 0.53 H new ATOM 0 HD2 ARG B 27 157.052 -0.257 5.858 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.629 -0.098 7.505 1.00 0.80 H new ATOM 0 HE ARG B 27 156.700 -2.801 6.815 1.00 0.90 H new ATOM 0 HH11 ARG B 27 159.442 -0.549 6.873 1.00 1.21 H new ATOM 0 HH12 ARG B 27 160.645 -1.842 6.875 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.259 -4.443 6.822 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.978 -4.036 6.846 1.00 1.67 H new ATOM 1196 N GLU B 28 156.394 3.106 5.843 1.00 0.33 N ATOM 1197 CA GLU B 28 157.673 3.774 5.601 1.00 0.36 C ATOM 1198 C GLU B 28 157.794 5.004 6.501 1.00 0.35 C ATOM 1199 O GLU B 28 158.792 5.167 7.205 1.00 0.44 O ATOM 1200 CB GLU B 28 157.858 4.150 4.119 1.00 0.47 C ATOM 1201 CG GLU B 28 156.666 4.848 3.481 1.00 0.78 C ATOM 1202 CD GLU B 28 156.933 6.311 3.178 1.00 1.17 C ATOM 1203 OE1 GLU B 28 157.684 6.592 2.220 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.389 7.177 3.895 1.00 1.79 O ATOM 0 H GLU B 28 155.756 3.103 5.047 1.00 0.33 H new ATOM 0 HA GLU B 28 158.471 3.074 5.847 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.730 4.798 4.030 1.00 0.47 H new ATOM 0 HB3 GLU B 28 158.075 3.244 3.554 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.401 4.333 2.558 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.807 4.771 4.147 1.00 0.78 H new ATOM 1211 N LEU B 29 156.765 5.860 6.483 1.00 0.33 N ATOM 1212 CA LEU B 29 156.741 7.071 7.309 1.00 0.38 C ATOM 1213 C LEU B 29 156.785 6.739 8.810 1.00 0.42 C ATOM 1214 O LEU B 29 157.072 7.612 9.631 1.00 0.79 O ATOM 1215 CB LEU B 29 155.481 7.888 7.008 1.00 0.46 C ATOM 1216 CG LEU B 29 155.682 9.406 6.975 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.307 9.965 5.610 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.870 10.078 8.075 1.00 0.59 C ATOM 0 H LEU B 29 155.936 5.735 5.903 1.00 0.33 H new ATOM 0 HA LEU B 29 157.630 7.652 7.062 1.00 0.38 H new ATOM 0 HB2 LEU B 29 155.082 7.569 6.045 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.727 7.653 7.759 1.00 0.46 H new ATOM 0 HG LEU B 29 156.736 9.618 7.152 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.456 11.045 5.605 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.935 9.509 4.845 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.261 9.742 5.401 1.00 0.82 H new ATOM 0 HD21 LEU B 29 155.026 11.156 8.035 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.812 9.859 7.932 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.190 9.701 9.046 1.00 0.59 H new ATOM 1230 N GLU B 30 156.540 5.468 9.153 1.00 0.43 N ATOM 1231 CA GLU B 30 156.592 5.024 10.545 1.00 0.45 C ATOM 1232 C GLU B 30 158.046 5.049 11.020 1.00 0.44 C ATOM 1233 O GLU B 30 158.340 5.505 12.125 1.00 0.58 O ATOM 1234 CB GLU B 30 155.978 3.629 10.695 1.00 0.51 C ATOM 1235 CG GLU B 30 154.683 3.623 11.494 1.00 0.58 C ATOM 1236 CD GLU B 30 154.918 3.729 12.989 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.156 4.856 13.476 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.865 2.686 13.674 1.00 1.26 O ATOM 0 H GLU B 30 156.305 4.734 8.485 1.00 0.43 H new ATOM 0 HA GLU B 30 156.004 5.700 11.167 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.787 3.215 9.705 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.700 2.973 11.181 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.056 4.453 11.169 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.133 2.706 11.281 1.00 0.58 H new ATOM 1245 N ASP B 31 158.938 4.509 10.182 1.00 0.41 N ATOM 1246 CA ASP B 31 160.360 4.442 10.505 1.00 0.55 C ATOM 1247 C ASP B 31 160.940 5.850 10.646 1.00 0.57 C ATOM 1248 O ASP B 31 161.881 6.066 11.412 1.00 0.76 O ATOM 1249 CB ASP B 31 161.123 3.653 9.440 1.00 0.69 C ATOM 1250 CG ASP B 31 161.674 2.346 9.978 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.749 2.372 10.616 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.030 1.297 9.766 1.00 1.74 O ATOM 0 H ASP B 31 158.695 4.112 9.274 1.00 0.41 H new ATOM 0 HA ASP B 31 160.471 3.922 11.457 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.461 3.447 8.599 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.943 4.261 9.058 1.00 0.69 H new ATOM 1257 N TYR B 32 160.357 6.813 9.921 1.00 0.49 N ATOM 1258 CA TYR B 32 160.803 8.203 9.989 1.00 0.56 C ATOM 1259 C TYR B 32 160.493 8.781 11.369 1.00 0.56 C ATOM 1260 O TYR B 32 161.315 9.486 11.956 1.00 0.67 O ATOM 1261 CB TYR B 32 160.124 9.041 8.901 1.00 0.60 C ATOM 1262 CG TYR B 32 160.785 8.924 7.545 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.935 9.645 7.248 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.259 8.094 6.562 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.543 9.541 6.011 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.861 7.985 5.323 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.002 8.710 5.052 1.00 1.21 C ATOM 1268 OH TYR B 32 162.605 8.604 3.819 1.00 1.53 O ATOM 0 H TYR B 32 159.578 6.652 9.283 1.00 0.49 H new ATOM 0 HA TYR B 32 161.880 8.232 9.823 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.082 8.734 8.815 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.124 10.087 9.207 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.361 10.297 7.996 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.365 7.525 6.770 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.437 10.107 5.796 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.440 7.335 4.570 1.00 1.17 H new ATOM 0 HH TYR B 32 162.099 7.977 3.260 1.00 1.53 H new ATOM 1278 N ILE B 33 159.307 8.453 11.889 1.00 0.54 N ATOM 1279 CA ILE B 33 158.889 8.912 13.212 1.00 0.64 C ATOM 1280 C ILE B 33 159.562 8.084 14.317 1.00 0.58 C ATOM 1281 O ILE B 33 159.585 8.492 15.479 1.00 0.78 O ATOM 1282 CB ILE B 33 157.352 8.832 13.386 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.637 9.518 12.215 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.930 9.464 14.708 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.285 8.917 11.893 1.00 0.87 C ATOM 0 H ILE B 33 158.620 7.870 11.411 1.00 0.54 H new ATOM 0 HA ILE B 33 159.198 9.954 13.297 1.00 0.64 H new ATOM 0 HB ILE B 33 157.065 7.781 13.396 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.509 10.575 12.448 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.271 9.461 11.330 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.847 9.399 14.813 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.407 8.935 15.533 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.234 10.511 14.724 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.839 9.453 11.055 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.407 7.867 11.628 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.634 8.998 12.763 1.00 0.87 H new ATOM 1297 N ASP B 34 160.128 6.928 13.939 1.00 0.46 N ATOM 1298 CA ASP B 34 160.814 6.056 14.890 1.00 0.50 C ATOM 1299 C ASP B 34 162.063 6.728 15.458 1.00 0.40 C ATOM 1300 O ASP B 34 162.393 6.530 16.622 1.00 0.45 O ATOM 1301 CB ASP B 34 161.194 4.727 14.231 1.00 0.69 C ATOM 1302 CG ASP B 34 160.275 3.594 14.645 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.441 3.076 15.770 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.389 3.225 13.845 1.00 1.46 O ATOM 0 H ASP B 34 160.121 6.580 12.980 1.00 0.46 H new ATOM 0 HA ASP B 34 160.124 5.861 15.711 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.162 4.840 13.147 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.221 4.474 14.495 1.00 0.69 H new ATOM 1309 N ASN B 35 162.755 7.524 14.633 1.00 0.52 N ATOM 1310 CA ASN B 35 163.969 8.229 15.060 1.00 0.58 C ATOM 1311 C ASN B 35 163.786 8.869 16.436 1.00 0.49 C ATOM 1312 O ASN B 35 164.694 8.832 17.269 1.00 0.61 O ATOM 1313 CB ASN B 35 164.352 9.305 14.036 1.00 0.78 C ATOM 1314 CG ASN B 35 164.848 8.715 12.727 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.800 7.934 12.706 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.205 9.088 11.624 1.00 1.31 N ATOM 0 H ASN B 35 162.493 7.696 13.662 1.00 0.52 H new ATOM 0 HA ASN B 35 164.771 7.494 15.127 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.487 9.939 13.840 1.00 0.78 H new ATOM 0 HB3 ASN B 35 165.127 9.944 14.459 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.496 8.725 10.716 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.421 9.737 11.686 1.00 1.31 H new ATOM 1323 N LEU B 36 162.603 9.442 16.671 1.00 0.44 N ATOM 1324 CA LEU B 36 162.298 10.073 17.954 1.00 0.51 C ATOM 1325 C LEU B 36 162.341 9.038 19.079 1.00 0.47 C ATOM 1326 O LEU B 36 162.947 9.271 20.125 1.00 0.59 O ATOM 1327 CB LEU B 36 160.919 10.751 17.919 1.00 0.71 C ATOM 1328 CG LEU B 36 160.595 11.536 16.641 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.230 12.200 16.757 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.672 12.575 16.355 1.00 1.64 C ATOM 0 H LEU B 36 161.844 9.481 15.991 1.00 0.44 H new ATOM 0 HA LEU B 36 163.053 10.836 18.142 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.155 9.986 18.057 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.847 11.430 18.769 1.00 0.71 H new ATOM 0 HG LEU B 36 160.570 10.835 15.807 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.015 12.753 15.842 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.466 11.437 16.908 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.230 12.886 17.604 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.420 13.119 15.444 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.734 13.274 17.189 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.633 12.077 16.226 1.00 1.64 H new ATOM 1342 N LEU B 37 161.701 7.888 18.846 1.00 0.41 N ATOM 1343 CA LEU B 37 161.670 6.804 19.825 1.00 0.48 C ATOM 1344 C LEU B 37 162.292 5.528 19.248 1.00 0.41 C ATOM 1345 O LEU B 37 161.633 4.489 19.153 1.00 0.54 O ATOM 1346 CB LEU B 37 160.229 6.537 20.278 1.00 0.65 C ATOM 1347 CG LEU B 37 159.224 6.285 19.148 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.232 5.200 19.543 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.496 7.572 18.783 1.00 0.69 C ATOM 0 H LEU B 37 161.196 7.686 17.983 1.00 0.41 H new ATOM 0 HA LEU B 37 162.260 7.109 20.690 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.228 5.673 20.942 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.886 7.390 20.864 1.00 0.65 H new ATOM 0 HG LEU B 37 159.773 5.941 18.271 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.528 5.037 18.727 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.769 4.274 19.750 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.688 5.511 20.435 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.787 7.374 17.979 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.960 7.947 19.655 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.219 8.318 18.453 1.00 0.69 H new ATOM 1361 N VAL B 38 163.569 5.617 18.860 1.00 0.36 N ATOM 1362 CA VAL B 38 164.289 4.478 18.288 1.00 0.49 C ATOM 1363 C VAL B 38 164.107 3.232 19.157 1.00 0.67 C ATOM 1364 O VAL B 38 163.836 3.342 20.353 1.00 1.35 O ATOM 1365 CB VAL B 38 165.797 4.795 18.137 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.597 3.546 17.791 1.00 1.31 C ATOM 1367 CG2 VAL B 38 166.011 5.876 17.085 1.00 0.89 C ATOM 0 H VAL B 38 164.125 6.469 18.933 1.00 0.36 H new ATOM 0 HA VAL B 38 163.872 4.285 17.300 1.00 0.49 H new ATOM 0 HB VAL B 38 166.158 5.164 19.097 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.651 3.805 17.692 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.477 2.806 18.583 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.236 3.132 16.850 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.076 6.087 16.991 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.624 5.532 16.126 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.486 6.784 17.384 1.00 0.89 H new ATOM 1377 N ARG B 39 164.229 2.054 18.533 1.00 0.54 N ATOM 1378 CA ARG B 39 164.053 0.769 19.221 1.00 0.62 C ATOM 1379 C ARG B 39 164.864 0.685 20.518 1.00 0.51 C ATOM 1380 O ARG B 39 165.979 0.158 20.537 1.00 0.63 O ATOM 1381 CB ARG B 39 164.435 -0.387 18.289 1.00 0.93 C ATOM 1382 CG ARG B 39 163.665 -0.395 16.977 1.00 1.15 C ATOM 1383 CD ARG B 39 163.934 -1.658 16.174 1.00 1.41 C ATOM 1384 NE ARG B 39 162.844 -2.628 16.297 1.00 1.58 N ATOM 1385 CZ ARG B 39 162.356 -3.349 15.281 1.00 1.77 C ATOM 1386 NH1 ARG B 39 162.870 -3.239 14.057 1.00 2.06 N ATOM 1387 NH2 ARG B 39 161.351 -4.190 15.495 1.00 2.18 N ATOM 0 H ARG B 39 164.451 1.965 17.542 1.00 0.54 H new ATOM 0 HA ARG B 39 163.000 0.691 19.490 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.502 -0.331 18.073 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.264 -1.331 18.806 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.597 -0.314 17.181 1.00 1.15 H new ATOM 0 HG3 ARG B 39 163.943 0.478 16.386 1.00 1.15 H new ATOM 0 HD2 ARG B 39 164.071 -1.398 15.124 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.864 -2.113 16.514 1.00 1.41 H new ATOM 0 HE ARG B 39 162.429 -2.763 17.219 1.00 1.58 H new ATOM 0 HH11 ARG B 39 163.645 -2.599 13.885 1.00 2.06 H new ATOM 0 HH12 ARG B 39 162.488 -3.795 13.292 1.00 2.06 H new ATOM 0 HH21 ARG B 39 160.955 -4.284 16.430 1.00 2.18 H new ATOM 0 HH22 ARG B 39 160.975 -4.742 14.724 1.00 2.18 H new ATOM 1401 N VAL B 40 164.281 1.205 21.599 1.00 0.43 N ATOM 1402 CA VAL B 40 164.913 1.197 22.916 1.00 0.56 C ATOM 1403 C VAL B 40 163.844 1.106 24.009 1.00 0.71 C ATOM 1404 O VAL B 40 163.723 1.992 24.859 1.00 1.15 O ATOM 1405 CB VAL B 40 165.782 2.460 23.144 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.539 2.365 24.462 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.750 2.670 21.986 1.00 0.65 C ATOM 0 H VAL B 40 163.360 1.642 21.585 1.00 0.43 H new ATOM 0 HA VAL B 40 165.566 0.325 22.963 1.00 0.56 H new ATOM 0 HB VAL B 40 165.116 3.321 23.192 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.142 3.262 24.601 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.829 2.275 25.284 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.189 1.490 24.446 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.349 3.562 22.169 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.406 1.804 21.899 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.188 2.794 21.060 1.00 0.65 H new ATOM 1417 N MET B 41 163.060 0.028 23.969 1.00 0.60 N ATOM 1418 CA MET B 41 161.990 -0.185 24.942 1.00 0.74 C ATOM 1419 C MET B 41 162.364 -1.283 25.936 1.00 0.91 C ATOM 1420 O MET B 41 162.701 -2.401 25.489 1.00 0.91 O ATOM 1421 CB MET B 41 160.683 -0.547 24.226 1.00 0.73 C ATOM 1422 CG MET B 41 160.278 0.448 23.147 1.00 0.74 C ATOM 1423 SD MET B 41 159.140 -0.261 21.940 1.00 0.86 S ATOM 1424 CE MET B 41 159.778 0.437 20.418 1.00 0.70 C ATOM 1425 OXT MET B 41 162.320 -1.013 27.154 1.00 1.13 O ATOM 0 H MET B 41 163.147 -0.712 23.272 1.00 0.60 H new ATOM 0 HA MET B 41 161.847 0.743 25.495 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.787 -1.534 23.776 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.883 -0.616 24.963 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.812 1.315 23.614 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.171 0.804 22.633 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.176 0.090 19.578 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.734 1.525 20.470 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.812 0.122 20.278 1.00 0.70 H new TER 1435 MET B 41