USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 62:sc= 0.337 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 8 ASN : amide:sc= -0.155 K(o=-0.15,f=-1.2!) USER MOD Set 3.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.716 (180deg=0.6) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= -0.159 (180deg=-0.64) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.0099 (180deg=-0.134) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 175:sc= 0.00439 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.57) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0626 K(o=-0.063,f=-2.9!) USER MOD Single : A 44 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 45 TYR OH : rot 17:sc= 1.22 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc=0.000149 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -170:sc= -0.728 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.100 -0.609 -19.097 1.00 3.32 N ATOM 2 CA MET A 1 -11.173 -1.595 -19.037 1.00 74.22 C ATOM 3 C MET A 1 -10.704 -2.943 -19.577 1.00 73.40 C ATOM 4 O MET A 1 -9.968 -3.007 -20.562 1.00 50.13 O ATOM 5 CB MET A 1 -12.387 -1.109 -19.831 1.00 32.55 C ATOM 6 CG MET A 1 -13.137 0.029 -19.158 1.00 15.35 C ATOM 7 SD MET A 1 -12.503 1.651 -19.625 1.00 21.01 S ATOM 8 CE MET A 1 -14.003 2.629 -19.571 1.00 55.34 C ATOM 0 H1 MET A 1 -10.497 0.344 -18.971 1.00 3.32 H new ATOM 0 H2 MET A 1 -9.411 -0.800 -18.342 1.00 3.32 H new ATOM 0 H3 MET A 1 -9.626 -0.667 -20.021 1.00 3.32 H new ATOM 0 HA MET A 1 -11.458 -1.721 -17.993 1.00 74.22 H new ATOM 0 HB2 MET A 1 -12.059 -0.783 -20.818 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.070 -1.945 -19.982 1.00 32.55 H new ATOM 0 HG2 MET A 1 -14.193 -0.033 -19.419 1.00 15.35 H new ATOM 0 HG3 MET A 1 -13.069 -0.086 -18.076 1.00 15.35 H new ATOM 0 HE1 MET A 1 -13.774 3.661 -19.837 1.00 55.34 H new ATOM 0 HE2 MET A 1 -14.727 2.224 -20.278 1.00 55.34 H new ATOM 0 HE3 MET A 1 -14.422 2.598 -18.565 1.00 55.34 H new ATOM 18 N THR A 2 -11.135 -4.018 -18.925 1.00 10.15 N ATOM 19 CA THR A 2 -10.758 -5.364 -19.340 1.00 20.41 C ATOM 20 C THR A 2 -11.973 -6.153 -19.814 1.00 2.24 C ATOM 21 O THR A 2 -12.853 -6.493 -19.023 1.00 31.53 O ATOM 22 CB THR A 2 -10.076 -6.134 -18.193 1.00 61.45 C ATOM 23 OG1 THR A 2 -8.893 -5.443 -17.774 1.00 34.53 O ATOM 24 CG2 THR A 2 -9.717 -7.547 -18.628 1.00 12.34 C ATOM 0 H THR A 2 -11.745 -3.983 -18.108 1.00 10.15 H new ATOM 0 HA THR A 2 -10.054 -5.256 -20.165 1.00 20.41 H new ATOM 0 HB THR A 2 -10.775 -6.194 -17.359 1.00 61.45 H new ATOM 0 HG1 THR A 2 -8.466 -5.938 -17.044 1.00 34.53 H new ATOM 0 HG21 THR A 2 -9.237 -8.071 -17.802 1.00 12.34 H new ATOM 0 HG22 THR A 2 -10.623 -8.080 -18.918 1.00 12.34 H new ATOM 0 HG23 THR A 2 -9.034 -7.504 -19.476 1.00 12.34 H new ATOM 32 N PHE A 3 -12.013 -6.445 -21.110 1.00 71.13 N ATOM 33 CA PHE A 3 -13.122 -7.195 -21.690 1.00 5.34 C ATOM 34 C PHE A 3 -12.711 -8.636 -21.979 1.00 31.35 C ATOM 35 O PHE A 3 -11.535 -8.990 -21.883 1.00 14.10 O ATOM 36 CB PHE A 3 -13.603 -6.522 -22.978 1.00 13.42 C ATOM 37 CG PHE A 3 -14.030 -5.096 -22.785 1.00 61.41 C ATOM 38 CD1 PHE A 3 -13.333 -4.062 -23.387 1.00 3.30 C ATOM 39 CD2 PHE A 3 -15.131 -4.789 -22.001 1.00 14.50 C ATOM 40 CE1 PHE A 3 -13.725 -2.748 -23.212 1.00 51.03 C ATOM 41 CE2 PHE A 3 -15.528 -3.478 -21.822 1.00 61.42 C ATOM 42 CZ PHE A 3 -14.823 -2.455 -22.427 1.00 53.44 C ATOM 0 H PHE A 3 -11.291 -6.174 -21.778 1.00 71.13 H new ATOM 0 HA PHE A 3 -13.938 -7.206 -20.967 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.803 -6.556 -23.717 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -14.438 -7.091 -23.386 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -12.473 -4.285 -24.001 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -15.685 -5.584 -21.524 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -13.173 -1.951 -23.689 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -16.389 -3.253 -21.210 1.00 61.42 H new ATOM 0 HZ PHE A 3 -15.130 -1.429 -22.286 1.00 53.44 H new ATOM 52 N LYS A 4 -13.687 -9.464 -22.332 1.00 33.24 N ATOM 53 CA LYS A 4 -13.429 -10.866 -22.636 1.00 21.53 C ATOM 54 C LYS A 4 -13.820 -11.192 -24.074 1.00 64.34 C ATOM 55 O LYS A 4 -14.759 -10.613 -24.619 1.00 12.13 O ATOM 56 CB LYS A 4 -14.201 -11.769 -21.670 1.00 53.22 C ATOM 57 CG LYS A 4 -14.105 -13.246 -22.010 1.00 22.24 C ATOM 58 CD LYS A 4 -12.686 -13.765 -21.844 1.00 3.42 C ATOM 59 CE LYS A 4 -12.410 -14.182 -20.408 1.00 15.10 C ATOM 60 NZ LYS A 4 -13.252 -15.338 -19.993 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.666 -9.188 -22.415 1.00 33.24 H new ATOM 0 HA LYS A 4 -12.361 -11.047 -22.518 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -13.824 -11.612 -20.659 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -15.250 -11.473 -21.668 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -14.778 -13.813 -21.367 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -14.434 -13.406 -23.037 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -12.528 -14.615 -22.508 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -11.978 -12.992 -22.142 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -11.357 -14.443 -20.302 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -12.598 -13.339 -19.743 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -12.787 -15.844 -19.212 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -14.182 -14.995 -19.678 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -13.376 -15.984 -20.799 1.00 54.24 H new ATOM 74 N ALA A 5 -13.094 -12.124 -24.683 1.00 23.53 N ATOM 75 CA ALA A 5 -13.367 -12.529 -26.057 1.00 20.41 C ATOM 76 C ALA A 5 -13.474 -14.046 -26.171 1.00 72.24 C ATOM 77 O ALA A 5 -12.528 -14.770 -25.855 1.00 53.44 O ATOM 78 CB ALA A 5 -12.283 -12.004 -26.987 1.00 73.13 C ATOM 0 H ALA A 5 -12.312 -12.613 -24.247 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.324 -12.100 -26.353 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.499 -12.314 -28.009 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.255 -10.916 -26.936 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.317 -12.406 -26.683 1.00 73.13 H new ATOM 84 N ILE A 6 -14.629 -14.521 -26.623 1.00 43.32 N ATOM 85 CA ILE A 6 -14.858 -15.952 -26.777 1.00 34.32 C ATOM 86 C ILE A 6 -15.104 -16.314 -28.239 1.00 75.13 C ATOM 87 O ILE A 6 -15.839 -15.623 -28.945 1.00 43.54 O ATOM 88 CB ILE A 6 -16.059 -16.425 -25.936 1.00 0.45 C ATOM 89 CG1 ILE A 6 -16.138 -17.952 -25.934 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.349 -15.822 -26.468 1.00 73.33 C ATOM 91 CD1 ILE A 6 -15.097 -18.611 -25.058 1.00 10.23 C ATOM 0 H ILE A 6 -15.421 -13.936 -26.889 1.00 43.32 H new ATOM 0 HA ILE A 6 -13.957 -16.455 -26.425 1.00 34.32 H new ATOM 0 HB ILE A 6 -15.920 -16.086 -24.909 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.129 -18.256 -25.597 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -16.023 -18.315 -26.955 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.188 -16.166 -25.863 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.289 -14.735 -26.421 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.496 -16.132 -27.502 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.214 -19.694 -25.106 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.101 -18.337 -25.407 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.224 -18.278 -24.028 1.00 10.23 H new ATOM 103 N ILE A 7 -14.484 -17.401 -28.685 1.00 61.12 N ATOM 104 CA ILE A 7 -14.637 -17.856 -30.061 1.00 70.24 C ATOM 105 C ILE A 7 -15.431 -19.157 -30.125 1.00 73.23 C ATOM 106 O ILE A 7 -15.053 -20.157 -29.518 1.00 74.32 O ATOM 107 CB ILE A 7 -13.271 -18.069 -30.739 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.373 -16.849 -30.520 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.453 -18.339 -32.225 1.00 55.12 C ATOM 110 CD1 ILE A 7 -12.954 -15.565 -31.068 1.00 21.24 C ATOM 0 H ILE A 7 -13.871 -17.983 -28.114 1.00 61.12 H new ATOM 0 HA ILE A 7 -15.180 -17.075 -30.593 1.00 70.24 H new ATOM 0 HB ILE A 7 -12.790 -18.937 -30.288 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -12.191 -16.729 -29.452 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.406 -17.030 -30.990 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.478 -18.487 -32.690 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -14.060 -19.234 -32.360 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.952 -17.489 -32.691 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -12.264 -14.743 -30.877 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -13.110 -15.666 -32.142 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -13.907 -15.360 -30.580 1.00 21.24 H new ATOM 122 N ASN A 8 -16.534 -19.134 -30.866 1.00 44.31 N ATOM 123 CA ASN A 8 -17.382 -20.312 -31.011 1.00 54.12 C ATOM 124 C ASN A 8 -16.815 -21.265 -32.059 1.00 3.45 C ATOM 125 O ASN A 8 -16.821 -20.967 -33.252 1.00 74.11 O ATOM 126 CB ASN A 8 -18.804 -19.898 -31.397 1.00 64.50 C ATOM 127 CG ASN A 8 -19.456 -19.020 -30.347 1.00 13.51 C ATOM 128 OD1 ASN A 8 -18.827 -18.644 -29.359 1.00 51.34 O ATOM 129 ND2 ASN A 8 -20.725 -18.689 -30.558 1.00 52.55 N ATOM 0 H ASN A 8 -16.862 -18.313 -31.375 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.409 -20.830 -30.052 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -18.779 -19.365 -32.348 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -19.411 -20.791 -31.548 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -21.217 -18.100 -29.886 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -21.208 -19.024 -31.392 1.00 52.55 H new ATOM 136 N GLY A 9 -16.325 -22.414 -31.603 1.00 64.02 N ATOM 137 CA GLY A 9 -15.763 -23.394 -32.513 1.00 71.24 C ATOM 138 C GLY A 9 -16.304 -24.789 -32.272 1.00 4.45 C ATOM 139 O GLY A 9 -16.626 -25.151 -31.139 1.00 51.23 O ATOM 0 H GLY A 9 -16.307 -22.683 -30.619 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -15.978 -23.097 -33.539 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -14.678 -23.405 -32.405 1.00 71.24 H new ATOM 143 N LYS A 10 -16.408 -25.575 -33.338 1.00 61.35 N ATOM 144 CA LYS A 10 -16.915 -26.937 -33.238 1.00 63.23 C ATOM 145 C LYS A 10 -15.773 -27.930 -33.044 1.00 15.24 C ATOM 146 O LYS A 10 -15.915 -28.924 -32.332 1.00 72.44 O ATOM 147 CB LYS A 10 -17.713 -27.300 -34.492 1.00 21.11 C ATOM 148 CG LYS A 10 -18.440 -28.629 -34.388 1.00 0.45 C ATOM 149 CD LYS A 10 -19.857 -28.450 -33.867 1.00 62.51 C ATOM 150 CE LYS A 10 -19.885 -28.370 -32.348 1.00 31.44 C ATOM 151 NZ LYS A 10 -21.225 -28.716 -31.799 1.00 14.44 N1+ ATOM 0 H LYS A 10 -16.147 -25.291 -34.282 1.00 61.35 H new ATOM 0 HA LYS A 10 -17.571 -26.991 -32.369 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -18.440 -26.512 -34.690 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -17.037 -27.332 -35.346 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -18.469 -29.107 -35.367 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -17.889 -29.295 -33.725 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -20.289 -27.542 -34.288 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -20.477 -29.283 -34.200 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -19.137 -29.047 -31.935 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -19.612 -27.363 -32.032 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -21.203 -28.650 -30.761 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -21.935 -28.054 -32.173 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -21.475 -29.686 -32.079 1.00 14.44 H new ATOM 165 N THR A 11 -14.640 -27.654 -33.683 1.00 75.42 N ATOM 166 CA THR A 11 -13.474 -28.523 -33.581 1.00 45.15 C ATOM 167 C THR A 11 -12.587 -28.117 -32.410 1.00 43.34 C ATOM 168 O THR A 11 -12.167 -28.958 -31.614 1.00 53.01 O ATOM 169 CB THR A 11 -12.640 -28.496 -34.875 1.00 51.20 C ATOM 170 OG1 THR A 11 -12.043 -27.207 -35.048 1.00 61.24 O ATOM 171 CG2 THR A 11 -13.504 -28.826 -36.084 1.00 64.34 C ATOM 0 H THR A 11 -14.505 -26.835 -34.277 1.00 75.42 H new ATOM 0 HA THR A 11 -13.846 -29.534 -33.418 1.00 45.15 H new ATOM 0 HB THR A 11 -11.857 -29.250 -34.790 1.00 51.20 H new ATOM 0 HG1 THR A 11 -11.513 -27.200 -35.872 1.00 61.24 H new ATOM 0 HG21 THR A 11 -12.893 -28.801 -36.986 1.00 64.34 H new ATOM 0 HG22 THR A 11 -13.933 -29.821 -35.964 1.00 64.34 H new ATOM 0 HG23 THR A 11 -14.306 -28.093 -36.169 1.00 64.34 H new ATOM 179 N LEU A 12 -12.305 -26.822 -32.309 1.00 14.20 N ATOM 180 CA LEU A 12 -11.467 -26.303 -31.232 1.00 71.25 C ATOM 181 C LEU A 12 -11.948 -24.927 -30.783 1.00 11.25 C ATOM 182 O LEU A 12 -11.899 -23.961 -31.545 1.00 31.51 O ATOM 183 CB LEU A 12 -10.009 -26.223 -31.688 1.00 3.23 C ATOM 184 CG LEU A 12 -8.955 -26.319 -30.585 1.00 35.12 C ATOM 185 CD1 LEU A 12 -7.559 -26.380 -31.184 1.00 11.42 C ATOM 186 CD2 LEU A 12 -9.076 -25.143 -29.628 1.00 24.33 C ATOM 0 H LEU A 12 -12.644 -26.113 -32.959 1.00 14.20 H new ATOM 0 HA LEU A 12 -11.540 -26.986 -30.386 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -9.829 -27.024 -32.405 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -9.866 -25.282 -32.218 1.00 3.23 H new ATOM 0 HG LEU A 12 -9.127 -27.237 -30.024 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -6.822 -26.448 -30.384 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -7.477 -27.256 -31.828 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -7.375 -25.480 -31.771 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -8.318 -25.228 -28.849 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -8.931 -24.212 -30.176 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -10.066 -25.145 -29.172 1.00 24.33 H new ATOM 198 N LYS A 13 -12.411 -24.845 -29.541 1.00 74.53 N ATOM 199 CA LYS A 13 -12.898 -23.587 -28.988 1.00 63.41 C ATOM 200 C LYS A 13 -11.782 -22.845 -28.258 1.00 51.50 C ATOM 201 O LYS A 13 -11.058 -23.430 -27.452 1.00 41.22 O ATOM 202 CB LYS A 13 -14.065 -23.844 -28.030 1.00 61.25 C ATOM 203 CG LYS A 13 -14.533 -22.601 -27.295 1.00 35.23 C ATOM 204 CD LYS A 13 -14.073 -22.601 -25.848 1.00 31.02 C ATOM 205 CE LYS A 13 -15.247 -22.741 -24.890 1.00 52.41 C ATOM 206 NZ LYS A 13 -16.005 -24.002 -25.121 1.00 2.51 N1+ ATOM 0 H LYS A 13 -12.459 -25.635 -28.898 1.00 74.53 H new ATOM 0 HA LYS A 13 -13.244 -22.966 -29.814 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -14.901 -24.260 -28.592 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -13.766 -24.597 -27.300 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -14.150 -21.714 -27.799 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -15.621 -22.544 -27.332 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -13.372 -23.420 -25.688 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -13.537 -21.676 -25.635 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -14.882 -22.720 -23.863 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -15.916 -21.889 -25.008 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -16.613 -24.197 -24.300 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -16.594 -23.902 -25.972 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -15.338 -24.789 -25.252 1.00 2.51 H new ATOM 220 N GLY A 14 -11.649 -21.554 -28.545 1.00 72.31 N ATOM 221 CA GLY A 14 -10.620 -20.755 -27.906 1.00 53.44 C ATOM 222 C GLY A 14 -11.186 -19.790 -26.884 1.00 32.23 C ATOM 223 O GLY A 14 -12.401 -19.710 -26.704 1.00 62.11 O ATOM 0 H GLY A 14 -12.235 -21.047 -29.208 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -9.902 -21.415 -27.419 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -10.074 -20.196 -28.666 1.00 53.44 H new ATOM 227 N GLU A 15 -10.304 -19.056 -26.212 1.00 72.40 N ATOM 228 CA GLU A 15 -10.725 -18.094 -25.201 1.00 14.51 C ATOM 229 C GLU A 15 -9.581 -17.149 -24.840 1.00 2.11 C ATOM 230 O GLU A 15 -8.514 -17.584 -24.406 1.00 50.33 O ATOM 231 CB GLU A 15 -11.216 -18.819 -23.946 1.00 41.21 C ATOM 232 CG GLU A 15 -10.291 -19.935 -23.488 1.00 33.00 C ATOM 233 CD GLU A 15 -10.570 -20.376 -22.065 1.00 5.33 C ATOM 234 OE1 GLU A 15 -11.483 -21.206 -21.869 1.00 42.21 O ATOM 235 OE2 GLU A 15 -9.877 -19.891 -21.146 1.00 1.43 O1- ATOM 0 H GLU A 15 -9.295 -19.109 -26.350 1.00 72.40 H new ATOM 0 HA GLU A 15 -11.544 -17.506 -25.615 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -11.327 -18.096 -23.138 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -12.205 -19.234 -24.140 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -10.399 -20.789 -24.157 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -9.257 -19.599 -23.564 1.00 33.00 H new ATOM 242 N THR A 16 -9.812 -15.853 -25.025 1.00 64.02 N ATOM 243 CA THR A 16 -8.804 -14.846 -24.721 1.00 12.05 C ATOM 244 C THR A 16 -9.436 -13.599 -24.113 1.00 42.21 C ATOM 245 O THR A 16 -10.660 -13.488 -24.029 1.00 10.11 O ATOM 246 CB THR A 16 -8.013 -14.445 -25.981 1.00 72.14 C ATOM 247 OG1 THR A 16 -8.907 -14.282 -27.088 1.00 21.02 O ATOM 248 CG2 THR A 16 -6.964 -15.493 -26.319 1.00 32.22 C ATOM 0 H THR A 16 -10.689 -15.476 -25.384 1.00 64.02 H new ATOM 0 HA THR A 16 -8.121 -15.292 -23.998 1.00 12.05 H new ATOM 0 HB THR A 16 -7.507 -13.501 -25.780 1.00 72.14 H new ATOM 0 HG1 THR A 16 -8.398 -14.025 -27.885 1.00 21.02 H new ATOM 0 HG21 THR A 16 -6.419 -15.187 -27.212 1.00 32.22 H new ATOM 0 HG22 THR A 16 -6.268 -15.593 -25.486 1.00 32.22 H new ATOM 0 HG23 THR A 16 -7.452 -16.450 -26.502 1.00 32.22 H new ATOM 256 N THR A 17 -8.595 -12.661 -23.691 1.00 12.33 N ATOM 257 CA THR A 17 -9.072 -11.421 -23.089 1.00 4.32 C ATOM 258 C THR A 17 -8.350 -10.212 -23.677 1.00 2.10 C ATOM 259 O THR A 17 -7.188 -10.301 -24.072 1.00 50.51 O ATOM 260 CB THR A 17 -8.879 -11.427 -21.561 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.491 -11.566 -21.243 1.00 35.25 O ATOM 262 CG2 THR A 17 -9.668 -12.560 -20.921 1.00 52.12 C ATOM 0 H THR A 17 -7.580 -12.736 -23.755 1.00 12.33 H new ATOM 0 HA THR A 17 -10.137 -11.350 -23.312 1.00 4.32 H new ATOM 0 HB THR A 17 -9.248 -10.480 -21.166 1.00 64.52 H new ATOM 0 HG1 THR A 17 -7.377 -11.567 -20.270 1.00 35.25 H new ATOM 0 HG21 THR A 17 -9.516 -12.545 -19.842 1.00 52.12 H new ATOM 0 HG22 THR A 17 -10.728 -12.434 -21.140 1.00 52.12 H new ATOM 0 HG23 THR A 17 -9.325 -13.514 -21.322 1.00 52.12 H new ATOM 270 N THR A 18 -9.048 -9.082 -23.730 1.00 22.31 N ATOM 271 CA THR A 18 -8.474 -7.855 -24.269 1.00 2.54 C ATOM 272 C THR A 18 -8.708 -6.679 -23.328 1.00 23.33 C ATOM 273 O THR A 18 -9.832 -6.439 -22.888 1.00 54.25 O ATOM 274 CB THR A 18 -9.065 -7.518 -25.650 1.00 23.14 C ATOM 275 OG1 THR A 18 -9.439 -8.721 -26.330 1.00 34.30 O ATOM 276 CG2 THR A 18 -8.064 -6.743 -26.493 1.00 44.33 C ATOM 0 H THR A 18 -10.011 -8.991 -23.406 1.00 22.31 H new ATOM 0 HA THR A 18 -7.403 -8.026 -24.373 1.00 2.54 H new ATOM 0 HB THR A 18 -9.948 -6.896 -25.501 1.00 23.14 H new ATOM 0 HG1 THR A 18 -9.881 -8.495 -27.175 1.00 34.30 H new ATOM 0 HG21 THR A 18 -8.504 -6.516 -27.464 1.00 44.33 H new ATOM 0 HG22 THR A 18 -7.804 -5.813 -25.987 1.00 44.33 H new ATOM 0 HG23 THR A 18 -7.165 -7.343 -26.633 1.00 44.33 H new ATOM 284 N GLU A 19 -7.640 -5.950 -23.023 1.00 43.54 N ATOM 285 CA GLU A 19 -7.731 -4.798 -22.133 1.00 43.13 C ATOM 286 C GLU A 19 -7.328 -3.517 -22.857 1.00 53.51 C ATOM 287 O GLU A 19 -6.178 -3.358 -23.266 1.00 62.32 O ATOM 288 CB GLU A 19 -6.842 -5.003 -20.904 1.00 75.33 C ATOM 289 CG GLU A 19 -5.388 -5.282 -21.246 1.00 64.13 C ATOM 290 CD GLU A 19 -4.590 -5.765 -20.050 1.00 55.41 C ATOM 291 OE1 GLU A 19 -5.203 -6.315 -19.111 1.00 63.52 O ATOM 292 OE2 GLU A 19 -3.353 -5.591 -20.051 1.00 10.35 O1- ATOM 0 H GLU A 19 -6.702 -6.136 -23.378 1.00 43.54 H new ATOM 0 HA GLU A 19 -8.768 -4.702 -21.811 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -6.895 -4.114 -20.275 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -7.234 -5.833 -20.316 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -5.342 -6.032 -22.036 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -4.931 -4.375 -21.641 1.00 64.13 H new ATOM 299 N ALA A 20 -8.283 -2.606 -23.013 1.00 42.41 N ATOM 300 CA ALA A 20 -8.029 -1.340 -23.687 1.00 61.43 C ATOM 301 C ALA A 20 -8.658 -0.177 -22.927 1.00 34.43 C ATOM 302 O ALA A 20 -9.530 -0.375 -22.081 1.00 52.30 O ATOM 303 CB ALA A 20 -8.555 -1.386 -25.114 1.00 42.42 C ATOM 0 H ALA A 20 -9.240 -2.722 -22.681 1.00 42.41 H new ATOM 0 HA ALA A 20 -6.951 -1.182 -23.714 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -8.358 -0.433 -25.605 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -8.055 -2.186 -25.660 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -9.629 -1.572 -25.100 1.00 42.42 H new ATOM 309 N VAL A 21 -8.211 1.036 -23.234 1.00 11.54 N ATOM 310 CA VAL A 21 -8.731 2.231 -22.579 1.00 64.42 C ATOM 311 C VAL A 21 -10.165 2.515 -23.012 1.00 23.33 C ATOM 312 O VAL A 21 -11.029 2.803 -22.184 1.00 70.44 O ATOM 313 CB VAL A 21 -7.860 3.464 -22.886 1.00 32.04 C ATOM 314 CG1 VAL A 21 -8.366 4.679 -22.124 1.00 72.54 C ATOM 315 CG2 VAL A 21 -6.403 3.182 -22.551 1.00 45.25 C ATOM 0 H VAL A 21 -7.490 1.218 -23.932 1.00 11.54 H new ATOM 0 HA VAL A 21 -8.710 2.038 -21.506 1.00 64.42 H new ATOM 0 HB VAL A 21 -7.929 3.680 -23.952 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -7.738 5.540 -22.354 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -9.394 4.891 -22.418 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -8.329 4.478 -21.053 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -5.801 4.063 -22.774 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -6.313 2.940 -21.492 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -6.049 2.341 -23.147 1.00 45.25 H new ATOM 325 N ASP A 22 -10.411 2.431 -24.316 1.00 42.31 N ATOM 326 CA ASP A 22 -11.741 2.678 -24.860 1.00 1.33 C ATOM 327 C ASP A 22 -12.344 1.394 -25.425 1.00 73.21 C ATOM 328 O ASP A 22 -11.725 0.332 -25.373 1.00 2.50 O ATOM 329 CB ASP A 22 -11.679 3.749 -25.948 1.00 0.34 C ATOM 330 CG ASP A 22 -11.692 5.155 -25.379 1.00 65.24 C ATOM 331 OD1 ASP A 22 -12.443 5.395 -24.410 1.00 31.54 O ATOM 332 OD2 ASP A 22 -10.952 6.013 -25.902 1.00 73.30 O1- ATOM 0 H ASP A 22 -9.707 2.194 -25.015 1.00 42.31 H new ATOM 0 HA ASP A 22 -12.379 3.032 -24.050 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -10.775 3.609 -26.541 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -12.526 3.626 -26.624 1.00 0.34 H new ATOM 337 N ALA A 23 -13.554 1.503 -25.963 1.00 3.24 N ATOM 338 CA ALA A 23 -14.239 0.351 -26.539 1.00 54.33 C ATOM 339 C ALA A 23 -13.778 0.098 -27.970 1.00 5.03 C ATOM 340 O ALA A 23 -13.807 -1.034 -28.449 1.00 12.02 O ATOM 341 CB ALA A 23 -15.745 0.558 -26.495 1.00 24.43 C ATOM 0 H ALA A 23 -14.080 2.376 -26.012 1.00 3.24 H new ATOM 0 HA ALA A 23 -13.987 -0.527 -25.944 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -16.244 -0.309 -26.928 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -16.065 0.682 -25.460 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -16.007 1.449 -27.065 1.00 24.43 H new ATOM 347 N ALA A 24 -13.357 1.160 -28.648 1.00 2.42 N ATOM 348 CA ALA A 24 -12.889 1.053 -30.024 1.00 1.04 C ATOM 349 C ALA A 24 -11.472 0.492 -30.081 1.00 20.15 C ATOM 350 O ALA A 24 -11.124 -0.255 -30.996 1.00 1.23 O ATOM 351 CB ALA A 24 -12.950 2.409 -30.710 1.00 53.41 C ATOM 0 H ALA A 24 -13.330 2.105 -28.266 1.00 2.42 H new ATOM 0 HA ALA A 24 -13.546 0.362 -30.552 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -12.597 2.313 -31.737 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -13.978 2.770 -30.712 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -12.318 3.117 -30.174 1.00 53.41 H new ATOM 357 N THR A 25 -10.656 0.858 -29.097 1.00 32.45 N ATOM 358 CA THR A 25 -9.276 0.393 -29.035 1.00 64.24 C ATOM 359 C THR A 25 -9.209 -1.130 -29.027 1.00 62.03 C ATOM 360 O THR A 25 -8.303 -1.724 -29.610 1.00 44.02 O ATOM 361 CB THR A 25 -8.556 0.934 -27.787 1.00 73.41 C ATOM 362 OG1 THR A 25 -8.630 2.364 -27.759 1.00 72.11 O ATOM 363 CG2 THR A 25 -7.099 0.497 -27.769 1.00 4.30 C ATOM 0 H THR A 25 -10.928 1.475 -28.332 1.00 32.45 H new ATOM 0 HA THR A 25 -8.775 0.771 -29.926 1.00 64.24 H new ATOM 0 HB THR A 25 -9.052 0.527 -26.906 1.00 73.41 H new ATOM 0 HG1 THR A 25 -8.171 2.700 -26.961 1.00 72.11 H new ATOM 0 HG21 THR A 25 -6.612 0.892 -26.877 1.00 4.30 H new ATOM 0 HG22 THR A 25 -7.046 -0.592 -27.760 1.00 4.30 H new ATOM 0 HG23 THR A 25 -6.594 0.877 -28.657 1.00 4.30 H new ATOM 371 N ALA A 26 -10.175 -1.757 -28.363 1.00 74.02 N ATOM 372 CA ALA A 26 -10.226 -3.211 -28.281 1.00 53.15 C ATOM 373 C ALA A 26 -10.842 -3.811 -29.541 1.00 23.31 C ATOM 374 O ALA A 26 -10.600 -4.972 -29.868 1.00 2.03 O ATOM 375 CB ALA A 26 -11.011 -3.644 -27.051 1.00 11.33 C ATOM 0 H ALA A 26 -10.933 -1.280 -27.874 1.00 74.02 H new ATOM 0 HA ALA A 26 -9.204 -3.581 -28.195 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -11.041 -4.733 -27.003 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -10.528 -3.254 -26.155 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -12.028 -3.256 -27.113 1.00 11.33 H new ATOM 381 N GLU A 27 -11.639 -3.011 -30.242 1.00 4.11 N ATOM 382 CA GLU A 27 -12.291 -3.465 -31.465 1.00 11.53 C ATOM 383 C GLU A 27 -11.350 -3.342 -32.661 1.00 23.50 C ATOM 384 O GLU A 27 -11.456 -4.094 -33.629 1.00 52.42 O ATOM 385 CB GLU A 27 -13.565 -2.656 -31.721 1.00 72.31 C ATOM 386 CG GLU A 27 -14.799 -3.238 -31.053 1.00 43.22 C ATOM 387 CD GLU A 27 -15.058 -4.677 -31.458 1.00 0.43 C ATOM 388 OE1 GLU A 27 -14.707 -5.585 -30.676 1.00 23.21 O ATOM 389 OE2 GLU A 27 -15.612 -4.893 -32.556 1.00 4.43 O1- ATOM 0 H GLU A 27 -11.849 -2.047 -29.985 1.00 4.11 H new ATOM 0 HA GLU A 27 -12.555 -4.515 -31.337 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -13.416 -1.637 -31.365 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -13.738 -2.596 -32.796 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -14.681 -3.185 -29.971 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -15.667 -2.630 -31.309 1.00 43.22 H new ATOM 396 N LYS A 28 -10.428 -2.388 -32.585 1.00 43.34 N ATOM 397 CA LYS A 28 -9.467 -2.166 -33.658 1.00 2.12 C ATOM 398 C LYS A 28 -8.296 -3.139 -33.551 1.00 23.24 C ATOM 399 O LYS A 28 -7.814 -3.658 -34.558 1.00 44.21 O ATOM 400 CB LYS A 28 -8.951 -0.725 -33.619 1.00 40.24 C ATOM 401 CG LYS A 28 -8.235 -0.371 -32.328 1.00 74.32 C ATOM 402 CD LYS A 28 -7.816 1.089 -32.305 1.00 34.15 C ATOM 403 CE LYS A 28 -6.595 1.305 -31.424 1.00 4.23 C ATOM 404 NZ LYS A 28 -6.577 2.670 -30.827 1.00 4.24 N1+ ATOM 0 H LYS A 28 -10.326 -1.756 -31.791 1.00 43.34 H new ATOM 0 HA LYS A 28 -9.975 -2.339 -34.607 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -8.271 -0.569 -34.456 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -9.790 -0.043 -33.758 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -8.889 -0.576 -31.480 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -7.356 -1.005 -32.213 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -7.597 1.422 -33.320 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -8.642 1.700 -31.940 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -6.585 0.560 -30.628 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -5.691 1.154 -32.013 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -5.730 2.778 -30.234 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -6.561 3.381 -31.586 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -7.428 2.805 -30.244 1.00 4.24 H new ATOM 418 N VAL A 29 -7.845 -3.383 -32.325 1.00 21.30 N ATOM 419 CA VAL A 29 -6.734 -4.295 -32.086 1.00 25.12 C ATOM 420 C VAL A 29 -7.025 -5.677 -32.661 1.00 3.02 C ATOM 421 O VAL A 29 -6.108 -6.444 -32.956 1.00 53.33 O ATOM 422 CB VAL A 29 -6.431 -4.430 -30.582 1.00 45.21 C ATOM 423 CG1 VAL A 29 -7.540 -5.200 -29.881 1.00 44.51 C ATOM 424 CG2 VAL A 29 -5.085 -5.104 -30.368 1.00 72.10 C ATOM 0 H VAL A 29 -8.233 -2.961 -31.481 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.864 -3.872 -32.587 1.00 25.12 H new ATOM 0 HB VAL A 29 -6.384 -3.431 -30.148 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -7.309 -5.285 -28.819 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -8.485 -4.671 -30.005 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -7.622 -6.196 -30.316 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -4.887 -5.191 -29.300 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -5.100 -6.097 -30.816 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -4.301 -4.507 -30.835 1.00 72.10 H new ATOM 434 N PHE A 30 -8.307 -5.989 -32.818 1.00 64.42 N ATOM 435 CA PHE A 30 -8.720 -7.279 -33.358 1.00 35.02 C ATOM 436 C PHE A 30 -8.387 -7.379 -34.843 1.00 62.14 C ATOM 437 O PHE A 30 -8.264 -8.475 -35.392 1.00 3.15 O ATOM 438 CB PHE A 30 -10.219 -7.490 -33.142 1.00 12.44 C ATOM 439 CG PHE A 30 -10.551 -8.145 -31.833 1.00 52.15 C ATOM 440 CD1 PHE A 30 -11.433 -7.547 -30.946 1.00 52.04 C ATOM 441 CD2 PHE A 30 -9.981 -9.360 -31.486 1.00 11.01 C ATOM 442 CE1 PHE A 30 -11.741 -8.147 -29.741 1.00 11.44 C ATOM 443 CE2 PHE A 30 -10.287 -9.966 -30.282 1.00 32.40 C ATOM 444 CZ PHE A 30 -11.166 -9.358 -29.407 1.00 5.33 C ATOM 0 H PHE A 30 -9.078 -5.366 -32.579 1.00 64.42 H new ATOM 0 HA PHE A 30 -8.172 -8.059 -32.829 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -10.724 -6.526 -33.195 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -10.612 -8.101 -33.955 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -11.885 -6.600 -31.201 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -9.290 -9.839 -32.164 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -12.431 -7.670 -29.060 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -9.839 -10.915 -30.025 1.00 32.40 H new ATOM 0 HZ PHE A 30 -11.403 -9.828 -28.464 1.00 5.33 H new ATOM 454 N LYS A 31 -8.246 -6.228 -35.490 1.00 13.35 N ATOM 455 CA LYS A 31 -7.929 -6.182 -36.913 1.00 22.03 C ATOM 456 C LYS A 31 -6.689 -7.016 -37.220 1.00 4.01 C ATOM 457 O LYS A 31 -6.542 -7.540 -38.323 1.00 74.12 O ATOM 458 CB LYS A 31 -7.708 -4.735 -37.361 1.00 52.34 C ATOM 459 CG LYS A 31 -6.343 -4.185 -36.986 1.00 74.40 C ATOM 460 CD LYS A 31 -5.337 -4.375 -38.108 1.00 13.51 C ATOM 461 CE LYS A 31 -5.342 -3.194 -39.067 1.00 21.40 C ATOM 462 NZ LYS A 31 -4.385 -2.133 -38.646 1.00 50.35 N1+ ATOM 0 H LYS A 31 -8.346 -5.313 -35.051 1.00 13.35 H new ATOM 0 HA LYS A 31 -8.772 -6.600 -37.462 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -7.830 -4.676 -38.443 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -8.479 -4.104 -36.918 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -6.430 -3.124 -36.750 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -5.984 -4.684 -36.086 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -4.339 -4.499 -37.687 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -5.568 -5.290 -38.654 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -5.085 -3.538 -40.069 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -6.347 -2.775 -39.122 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -4.418 -1.346 -39.325 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -4.645 -1.786 -37.701 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -3.422 -2.525 -38.618 1.00 50.35 H new ATOM 476 N GLN A 32 -5.803 -7.135 -36.237 1.00 12.22 N ATOM 477 CA GLN A 32 -4.577 -7.906 -36.404 1.00 64.31 C ATOM 478 C GLN A 32 -4.816 -9.381 -36.100 1.00 73.14 C ATOM 479 O GLN A 32 -4.156 -10.256 -36.661 1.00 72.14 O ATOM 480 CB GLN A 32 -3.477 -7.358 -35.493 1.00 31.11 C ATOM 481 CG GLN A 32 -2.476 -6.470 -36.215 1.00 43.12 C ATOM 482 CD GLN A 32 -1.847 -7.154 -37.414 1.00 30.42 C ATOM 483 OE1 GLN A 32 -2.246 -6.923 -38.555 1.00 41.20 O ATOM 484 NE2 GLN A 32 -0.857 -8.002 -37.159 1.00 61.01 N ATOM 0 H GLN A 32 -5.911 -6.708 -35.317 1.00 12.22 H new ATOM 0 HA GLN A 32 -4.259 -7.814 -37.442 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -3.936 -6.790 -34.684 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -2.946 -8.193 -35.036 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -2.975 -5.558 -36.542 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -1.692 -6.172 -35.519 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -0.559 -8.163 -36.197 1.00 61.01 H new ATOM 0 HE22 GLN A 32 -0.395 -8.492 -37.925 1.00 61.01 H new ATOM 493 N TYR A 33 -5.764 -9.650 -35.209 1.00 0.51 N ATOM 494 CA TYR A 33 -6.089 -11.020 -34.828 1.00 64.52 C ATOM 495 C TYR A 33 -6.748 -11.766 -35.986 1.00 3.34 C ATOM 496 O TYR A 33 -6.629 -12.985 -36.102 1.00 3.14 O ATOM 497 CB TYR A 33 -7.013 -11.028 -33.611 1.00 74.12 C ATOM 498 CG TYR A 33 -6.276 -11.051 -32.291 1.00 2.13 C ATOM 499 CD1 TYR A 33 -6.498 -10.070 -31.331 1.00 44.13 C ATOM 500 CD2 TYR A 33 -5.356 -12.051 -32.004 1.00 14.23 C ATOM 501 CE1 TYR A 33 -5.826 -10.086 -30.125 1.00 22.11 C ATOM 502 CE2 TYR A 33 -4.680 -12.076 -30.799 1.00 11.55 C ATOM 503 CZ TYR A 33 -4.918 -11.092 -29.863 1.00 40.41 C ATOM 504 OH TYR A 33 -4.246 -11.112 -28.662 1.00 2.51 O ATOM 0 H TYR A 33 -6.321 -8.938 -34.737 1.00 0.51 H new ATOM 0 HA TYR A 33 -5.159 -11.529 -34.573 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -7.652 -10.146 -33.645 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -7.667 -11.898 -33.668 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -7.208 -9.282 -31.532 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -5.166 -12.823 -32.735 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -6.010 -9.316 -29.391 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -3.969 -12.862 -30.592 1.00 11.55 H new ATOM 0 HH TYR A 33 -3.645 -11.886 -28.636 1.00 2.51 H new ATOM 514 N PHE A 34 -7.442 -11.022 -36.841 1.00 1.24 N ATOM 515 CA PHE A 34 -8.121 -11.610 -37.989 1.00 71.25 C ATOM 516 C PHE A 34 -7.127 -12.324 -38.901 1.00 75.23 C ATOM 517 O PHE A 34 -7.444 -13.356 -39.494 1.00 24.13 O ATOM 518 CB PHE A 34 -8.867 -10.531 -38.776 1.00 45.01 C ATOM 519 CG PHE A 34 -10.263 -10.284 -38.279 1.00 40.33 C ATOM 520 CD1 PHE A 34 -10.513 -10.129 -36.925 1.00 50.01 C ATOM 521 CD2 PHE A 34 -11.324 -10.208 -39.166 1.00 32.15 C ATOM 522 CE1 PHE A 34 -11.796 -9.901 -36.465 1.00 32.33 C ATOM 523 CE2 PHE A 34 -12.610 -9.980 -38.712 1.00 24.42 C ATOM 524 CZ PHE A 34 -12.846 -9.827 -37.359 1.00 24.34 C ATOM 0 H PHE A 34 -7.549 -10.011 -36.760 1.00 1.24 H new ATOM 0 HA PHE A 34 -8.839 -12.341 -37.619 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -8.302 -9.600 -38.726 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -8.910 -10.822 -39.826 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -9.696 -10.187 -36.221 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -11.145 -10.328 -40.224 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -11.977 -9.781 -35.407 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -13.429 -9.922 -39.414 1.00 24.42 H new ATOM 0 HZ PHE A 34 -13.850 -9.650 -37.001 1.00 24.34 H new ATOM 534 N ASN A 35 -5.925 -11.768 -39.008 1.00 25.20 N ATOM 535 CA ASN A 35 -4.886 -12.350 -39.848 1.00 13.22 C ATOM 536 C ASN A 35 -4.191 -13.506 -39.132 1.00 14.35 C ATOM 537 O ASN A 35 -3.658 -14.414 -39.770 1.00 32.43 O ATOM 538 CB ASN A 35 -3.858 -11.285 -40.235 1.00 15.24 C ATOM 539 CG ASN A 35 -2.882 -11.778 -41.286 1.00 53.00 C ATOM 540 OD1 ASN A 35 -1.734 -12.103 -40.980 1.00 50.44 O ATOM 541 ND2 ASN A 35 -3.334 -11.835 -42.533 1.00 2.01 N ATOM 0 H ASN A 35 -5.647 -10.915 -38.523 1.00 25.20 H new ATOM 0 HA ASN A 35 -5.358 -12.736 -40.751 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -4.377 -10.403 -40.610 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -3.306 -10.977 -39.347 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -2.723 -12.158 -43.283 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -4.293 -11.556 -42.741 1.00 2.01 H new ATOM 548 N ASP A 36 -4.203 -13.464 -37.804 1.00 72.53 N ATOM 549 CA ASP A 36 -3.577 -14.508 -37.002 1.00 31.41 C ATOM 550 C ASP A 36 -4.273 -15.848 -37.214 1.00 53.41 C ATOM 551 O ASP A 36 -3.621 -16.881 -37.362 1.00 51.11 O ATOM 552 CB ASP A 36 -3.611 -14.131 -35.519 1.00 41.52 C ATOM 553 CG ASP A 36 -2.769 -15.060 -34.666 1.00 10.32 C ATOM 554 OD1 ASP A 36 -1.550 -15.157 -34.919 1.00 11.35 O ATOM 555 OD2 ASP A 36 -3.330 -15.688 -33.744 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.639 -12.719 -37.261 1.00 72.53 H new ATOM 0 HA ASP A 36 -2.539 -14.604 -37.322 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -3.254 -13.108 -35.399 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -4.642 -14.152 -35.165 1.00 41.52 H new ATOM 560 N ASN A 37 -5.601 -15.824 -37.228 1.00 14.32 N ATOM 561 CA ASN A 37 -6.386 -17.038 -37.420 1.00 4.12 C ATOM 562 C ASN A 37 -6.779 -17.204 -38.885 1.00 70.12 C ATOM 563 O ASN A 37 -7.097 -18.306 -39.332 1.00 4.34 O ATOM 564 CB ASN A 37 -7.640 -17.004 -36.545 1.00 22.42 C ATOM 565 CG ASN A 37 -8.129 -18.393 -36.180 1.00 54.21 C ATOM 566 OD1 ASN A 37 -9.116 -18.879 -36.732 1.00 50.32 O ATOM 567 ND2 ASN A 37 -7.439 -19.037 -35.248 1.00 64.23 N ATOM 0 H ASN A 37 -6.157 -14.977 -37.109 1.00 14.32 H new ATOM 0 HA ASN A 37 -5.771 -17.889 -37.128 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -7.428 -16.445 -35.633 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -8.432 -16.469 -37.070 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -7.720 -19.975 -34.962 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -6.627 -18.595 -34.818 1.00 64.23 H new ATOM 574 N GLY A 38 -6.756 -16.101 -39.627 1.00 34.21 N ATOM 575 CA GLY A 38 -7.112 -16.146 -41.034 1.00 32.44 C ATOM 576 C GLY A 38 -8.549 -16.574 -41.255 1.00 73.32 C ATOM 577 O GLY A 38 -8.909 -17.032 -42.341 1.00 21.11 O ATOM 0 H GLY A 38 -6.497 -15.178 -39.280 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -6.957 -15.162 -41.476 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.447 -16.837 -41.552 1.00 32.44 H new ATOM 581 N LEU A 39 -9.374 -16.426 -40.225 1.00 30.05 N ATOM 582 CA LEU A 39 -10.780 -16.803 -40.310 1.00 63.52 C ATOM 583 C LEU A 39 -11.670 -15.566 -40.397 1.00 44.43 C ATOM 584 O LEU A 39 -11.308 -14.493 -39.915 1.00 45.03 O ATOM 585 CB LEU A 39 -11.179 -17.647 -39.098 1.00 73.54 C ATOM 586 CG LEU A 39 -12.392 -18.558 -39.284 1.00 71.34 C ATOM 587 CD1 LEU A 39 -12.012 -19.795 -40.084 1.00 33.32 C ATOM 588 CD2 LEU A 39 -12.974 -18.953 -37.935 1.00 1.14 C ATOM 0 H LEU A 39 -9.093 -16.047 -39.320 1.00 30.05 H new ATOM 0 HA LEU A 39 -10.917 -17.393 -41.216 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -10.327 -18.264 -38.814 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -11.379 -16.976 -38.263 1.00 73.54 H new ATOM 0 HG LEU A 39 -13.153 -18.009 -39.839 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -12.888 -20.432 -40.207 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -11.642 -19.495 -41.064 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -11.234 -20.346 -39.555 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -13.837 -19.602 -38.087 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -12.219 -19.483 -37.354 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -13.284 -18.058 -37.396 1.00 1.14 H new ATOM 600 N ASP A 40 -12.837 -15.725 -41.014 1.00 23.32 N ATOM 601 CA ASP A 40 -13.780 -14.623 -41.161 1.00 31.44 C ATOM 602 C ASP A 40 -15.081 -14.920 -40.421 1.00 11.13 C ATOM 603 O ASP A 40 -16.093 -15.254 -41.035 1.00 74.43 O ATOM 604 CB ASP A 40 -14.068 -14.364 -42.641 1.00 2.00 C ATOM 605 CG ASP A 40 -15.074 -13.251 -42.849 1.00 43.15 C ATOM 606 OD1 ASP A 40 -14.711 -12.075 -42.633 1.00 34.04 O ATOM 607 OD2 ASP A 40 -16.225 -13.554 -43.228 1.00 1.34 O1- ATOM 0 H ASP A 40 -13.152 -16.606 -41.420 1.00 23.32 H new ATOM 0 HA ASP A 40 -13.330 -13.731 -40.725 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -13.138 -14.109 -43.150 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -14.442 -15.279 -43.101 1.00 2.00 H new ATOM 612 N GLY A 41 -15.045 -14.796 -39.098 1.00 53.44 N ATOM 613 CA GLY A 41 -16.227 -15.055 -38.296 1.00 32.20 C ATOM 614 C GLY A 41 -17.012 -13.793 -37.996 1.00 70.31 C ATOM 615 O GLY A 41 -16.631 -12.702 -38.420 1.00 4.21 O ATOM 0 H GLY A 41 -14.219 -14.521 -38.567 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.869 -15.763 -38.819 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -15.930 -15.526 -37.359 1.00 32.20 H new ATOM 619 N GLU A 42 -18.112 -13.941 -37.264 1.00 72.22 N ATOM 620 CA GLU A 42 -18.953 -12.804 -36.910 1.00 62.11 C ATOM 621 C GLU A 42 -18.797 -12.451 -35.434 1.00 0.55 C ATOM 622 O GLU A 42 -19.070 -13.271 -34.557 1.00 35.52 O ATOM 623 CB GLU A 42 -20.419 -13.110 -37.221 1.00 52.01 C ATOM 624 CG GLU A 42 -20.690 -13.362 -38.696 1.00 63.13 C ATOM 625 CD GLU A 42 -20.710 -12.084 -39.511 1.00 44.24 C ATOM 626 OE1 GLU A 42 -19.624 -11.512 -39.745 1.00 70.21 O ATOM 627 OE2 GLU A 42 -21.811 -11.656 -39.916 1.00 43.43 O1- ATOM 0 H GLU A 42 -18.441 -14.837 -36.905 1.00 72.22 H new ATOM 0 HA GLU A 42 -18.634 -11.949 -37.506 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -20.728 -13.985 -36.649 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -21.035 -12.276 -36.885 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -19.926 -14.030 -39.093 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -21.647 -13.873 -38.804 1.00 63.13 H new ATOM 634 N TRP A 43 -18.357 -11.226 -35.168 1.00 51.13 N ATOM 635 CA TRP A 43 -18.165 -10.764 -33.798 1.00 55.51 C ATOM 636 C TRP A 43 -19.444 -10.144 -33.248 1.00 4.43 C ATOM 637 O TRP A 43 -20.136 -9.402 -33.946 1.00 30.20 O ATOM 638 CB TRP A 43 -17.022 -9.749 -33.737 1.00 40.54 C ATOM 639 CG TRP A 43 -15.702 -10.360 -33.378 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.999 -10.172 -32.223 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.927 -11.258 -34.181 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.833 -10.898 -32.259 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.766 -11.573 -33.448 1.00 10.54 C ATOM 644 CE3 TRP A 43 -15.102 -11.826 -35.445 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.785 -12.430 -33.941 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -14.128 -12.677 -35.933 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.982 -12.973 -35.183 1.00 0.13 C ATOM 0 H TRP A 43 -18.127 -10.535 -35.882 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.909 -11.626 -33.182 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.934 -9.254 -34.704 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -17.268 -8.979 -33.006 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -15.313 -9.545 -31.402 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -13.131 -10.929 -31.520 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.982 -11.604 -36.030 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.901 -12.658 -33.365 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -14.253 -13.121 -36.909 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -12.240 -13.642 -35.592 1.00 0.13 H new ATOM 658 N THR A 44 -19.754 -10.451 -31.992 1.00 11.45 N ATOM 659 CA THR A 44 -20.951 -9.924 -31.349 1.00 25.43 C ATOM 660 C THR A 44 -20.619 -9.301 -29.998 1.00 41.45 C ATOM 661 O THR A 44 -19.643 -9.681 -29.351 1.00 0.05 O ATOM 662 CB THR A 44 -22.011 -11.023 -31.150 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.866 -12.032 -32.154 1.00 73.22 O ATOM 664 CG2 THR A 44 -23.414 -10.438 -31.209 1.00 21.42 C ATOM 0 H THR A 44 -19.192 -11.062 -31.400 1.00 11.45 H new ATOM 0 HA THR A 44 -21.355 -9.157 -32.010 1.00 25.43 H new ATOM 0 HB THR A 44 -21.861 -11.468 -30.166 1.00 41.34 H new ATOM 0 HG1 THR A 44 -21.103 -12.606 -31.933 1.00 73.22 H new ATOM 0 HG21 THR A 44 -24.146 -11.233 -31.066 1.00 21.42 H new ATOM 0 HG22 THR A 44 -23.530 -9.692 -30.423 1.00 21.42 H new ATOM 0 HG23 THR A 44 -23.572 -9.970 -32.180 1.00 21.42 H new ATOM 672 N TYR A 45 -21.438 -8.343 -29.577 1.00 33.31 N ATOM 673 CA TYR A 45 -21.231 -7.666 -28.303 1.00 15.32 C ATOM 674 C TYR A 45 -22.285 -8.089 -27.283 1.00 4.44 C ATOM 675 O TYR A 45 -23.439 -7.669 -27.358 1.00 1.35 O ATOM 676 CB TYR A 45 -21.271 -6.149 -28.494 1.00 33.44 C ATOM 677 CG TYR A 45 -20.441 -5.664 -29.663 1.00 21.31 C ATOM 678 CD1 TYR A 45 -19.114 -5.293 -29.490 1.00 21.15 C ATOM 679 CD2 TYR A 45 -20.985 -5.577 -30.938 1.00 22.51 C ATOM 680 CE1 TYR A 45 -18.351 -4.849 -30.553 1.00 30.52 C ATOM 681 CE2 TYR A 45 -20.230 -5.135 -32.007 1.00 23.44 C ATOM 682 CZ TYR A 45 -18.914 -4.773 -31.810 1.00 60.14 C ATOM 683 OH TYR A 45 -18.159 -4.331 -32.873 1.00 31.25 O ATOM 0 H TYR A 45 -22.251 -8.018 -30.100 1.00 33.31 H new ATOM 0 HA TYR A 45 -20.250 -7.952 -27.925 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -22.305 -5.836 -28.639 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -20.917 -5.667 -27.583 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -18.670 -5.353 -28.507 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -22.015 -5.860 -31.096 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -17.321 -4.563 -30.401 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -20.668 -5.073 -32.992 1.00 23.44 H new ATOM 0 HH TYR A 45 -17.208 -4.372 -32.639 1.00 31.25 H new ATOM 693 N ASP A 46 -21.877 -8.920 -26.331 1.00 20.13 N ATOM 694 CA ASP A 46 -22.785 -9.400 -25.296 1.00 54.12 C ATOM 695 C ASP A 46 -22.635 -8.577 -24.020 1.00 74.42 C ATOM 696 O ASP A 46 -21.980 -9.001 -23.068 1.00 23.32 O ATOM 697 CB ASP A 46 -22.518 -10.877 -24.998 1.00 21.25 C ATOM 698 CG ASP A 46 -22.586 -11.738 -26.244 1.00 71.31 C ATOM 699 OD1 ASP A 46 -23.480 -12.608 -26.316 1.00 23.42 O ATOM 700 OD2 ASP A 46 -21.745 -11.544 -27.146 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.924 -9.275 -26.254 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.806 -9.290 -25.662 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.534 -10.981 -24.541 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.247 -11.236 -24.271 1.00 21.25 H new ATOM 705 N ASP A 47 -23.248 -7.397 -24.008 1.00 54.10 N ATOM 706 CA ASP A 47 -23.183 -6.515 -22.849 1.00 22.40 C ATOM 707 C ASP A 47 -23.701 -7.219 -21.600 1.00 60.53 C ATOM 708 O ASP A 47 -23.340 -6.862 -20.478 1.00 15.12 O ATOM 709 CB ASP A 47 -23.993 -5.243 -23.105 1.00 42.04 C ATOM 710 CG ASP A 47 -23.468 -4.054 -22.323 1.00 23.55 C ATOM 711 OD1 ASP A 47 -22.310 -3.651 -22.563 1.00 10.12 O ATOM 712 OD2 ASP A 47 -24.215 -3.528 -21.473 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.795 -7.030 -24.787 1.00 54.10 H new ATOM 0 HA ASP A 47 -22.139 -6.246 -22.686 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -23.973 -5.011 -24.170 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -25.035 -5.419 -22.837 1.00 42.04 H new ATOM 717 N ALA A 48 -24.549 -8.222 -21.800 1.00 73.25 N ATOM 718 CA ALA A 48 -25.116 -8.978 -20.690 1.00 64.12 C ATOM 719 C ALA A 48 -24.022 -9.475 -19.750 1.00 44.51 C ATOM 720 O ALA A 48 -24.207 -9.519 -18.533 1.00 30.41 O ATOM 721 CB ALA A 48 -25.937 -10.147 -21.212 1.00 73.11 C ATOM 0 H ALA A 48 -24.859 -8.530 -22.722 1.00 73.25 H new ATOM 0 HA ALA A 48 -25.770 -8.313 -20.126 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.354 -10.702 -20.372 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -26.747 -9.772 -21.837 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.299 -10.805 -21.801 1.00 73.11 H new ATOM 727 N THR A 49 -22.882 -9.851 -20.322 1.00 51.14 N ATOM 728 CA THR A 49 -21.760 -10.347 -19.535 1.00 43.22 C ATOM 729 C THR A 49 -20.470 -9.621 -19.899 1.00 20.11 C ATOM 730 O THR A 49 -19.376 -10.062 -19.547 1.00 63.41 O ATOM 731 CB THR A 49 -21.559 -11.861 -19.737 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.073 -12.118 -21.059 1.00 44.13 O ATOM 733 CG2 THR A 49 -22.861 -12.614 -19.514 1.00 1.21 C ATOM 0 H THR A 49 -22.712 -9.821 -21.327 1.00 51.14 H new ATOM 0 HA THR A 49 -21.998 -10.156 -18.489 1.00 43.22 H new ATOM 0 HB THR A 49 -20.828 -12.209 -19.008 1.00 2.41 H new ATOM 0 HG1 THR A 49 -20.946 -13.082 -21.179 1.00 44.13 H new ATOM 0 HG21 THR A 49 -22.694 -13.681 -19.662 1.00 1.21 H new ATOM 0 HG22 THR A 49 -23.213 -12.439 -18.497 1.00 1.21 H new ATOM 0 HG23 THR A 49 -23.611 -12.262 -20.223 1.00 1.21 H new ATOM 741 N LYS A 50 -20.604 -8.505 -20.607 1.00 43.34 N ATOM 742 CA LYS A 50 -19.449 -7.715 -21.018 1.00 34.34 C ATOM 743 C LYS A 50 -18.413 -8.590 -21.717 1.00 15.35 C ATOM 744 O LYS A 50 -17.225 -8.540 -21.396 1.00 61.42 O ATOM 745 CB LYS A 50 -18.818 -7.028 -19.804 1.00 73.32 C ATOM 746 CG LYS A 50 -19.752 -6.062 -19.097 1.00 51.01 C ATOM 747 CD LYS A 50 -19.890 -4.758 -19.863 1.00 73.55 C ATOM 748 CE LYS A 50 -20.341 -3.623 -18.955 1.00 40.03 C ATOM 749 NZ LYS A 50 -20.822 -2.448 -19.733 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.502 -8.127 -20.909 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.790 -6.955 -21.721 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -18.492 -7.789 -19.095 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -17.927 -6.489 -20.125 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -20.733 -6.522 -18.981 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -19.375 -5.858 -18.095 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -18.935 -4.501 -20.321 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -20.608 -4.885 -20.673 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -21.138 -3.976 -18.301 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -19.513 -3.320 -18.314 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -21.500 -1.906 -19.160 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -20.014 -1.841 -19.980 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -21.288 -2.775 -20.603 1.00 63.54 H new ATOM 763 N THR A 51 -18.871 -9.389 -22.675 1.00 24.34 N ATOM 764 CA THR A 51 -17.983 -10.274 -23.421 1.00 44.02 C ATOM 765 C THR A 51 -18.341 -10.291 -24.902 1.00 73.53 C ATOM 766 O THR A 51 -19.508 -10.153 -25.271 1.00 14.21 O ATOM 767 CB THR A 51 -18.038 -11.714 -22.874 1.00 41.02 C ATOM 768 OG1 THR A 51 -17.758 -11.715 -21.470 1.00 32.22 O ATOM 769 CG2 THR A 51 -17.038 -12.604 -23.597 1.00 71.14 C ATOM 0 H THR A 51 -19.851 -9.442 -22.953 1.00 24.34 H new ATOM 0 HA THR A 51 -16.972 -9.885 -23.299 1.00 44.02 H new ATOM 0 HB THR A 51 -19.040 -12.107 -23.044 1.00 41.02 H new ATOM 0 HG1 THR A 51 -18.443 -11.196 -20.999 1.00 32.22 H new ATOM 0 HG21 THR A 51 -17.094 -13.616 -23.195 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.271 -12.623 -24.662 1.00 71.14 H new ATOM 0 HG23 THR A 51 -16.031 -12.212 -23.453 1.00 71.14 H new ATOM 777 N PHE A 52 -17.332 -10.462 -25.748 1.00 5.23 N ATOM 778 CA PHE A 52 -17.540 -10.497 -27.191 1.00 4.32 C ATOM 779 C PHE A 52 -17.716 -11.932 -27.680 1.00 0.13 C ATOM 780 O PHE A 52 -16.791 -12.742 -27.611 1.00 73.45 O ATOM 781 CB PHE A 52 -16.362 -9.842 -27.913 1.00 11.55 C ATOM 782 CG PHE A 52 -15.949 -8.527 -27.316 1.00 52.41 C ATOM 783 CD1 PHE A 52 -16.744 -7.402 -27.466 1.00 44.43 C ATOM 784 CD2 PHE A 52 -14.765 -8.415 -26.604 1.00 61.32 C ATOM 785 CE1 PHE A 52 -16.367 -6.191 -26.918 1.00 54.10 C ATOM 786 CE2 PHE A 52 -14.383 -7.208 -26.053 1.00 14.44 C ATOM 787 CZ PHE A 52 -15.185 -6.093 -26.210 1.00 65.43 C ATOM 0 H PHE A 52 -16.361 -10.579 -25.459 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.450 -9.941 -27.416 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.511 -10.523 -27.895 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.627 -9.690 -28.959 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -17.670 -7.473 -28.018 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -14.134 -9.282 -26.479 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -16.996 -5.322 -27.043 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -13.458 -7.135 -25.500 1.00 14.44 H new ATOM 0 HZ PHE A 52 -14.888 -5.148 -25.780 1.00 65.43 H new ATOM 797 N THR A 53 -18.910 -12.240 -28.175 1.00 65.24 N ATOM 798 CA THR A 53 -19.210 -13.575 -28.674 1.00 62.11 C ATOM 799 C THR A 53 -18.991 -13.661 -30.181 1.00 71.13 C ATOM 800 O THR A 53 -19.703 -13.028 -30.960 1.00 25.23 O ATOM 801 CB THR A 53 -20.661 -13.982 -28.355 1.00 22.10 C ATOM 802 OG1 THR A 53 -20.869 -13.982 -26.938 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.973 -15.361 -28.918 1.00 73.15 C ATOM 0 H THR A 53 -19.686 -11.581 -28.241 1.00 65.24 H new ATOM 0 HA THR A 53 -18.529 -14.260 -28.170 1.00 62.11 H new ATOM 0 HB THR A 53 -21.329 -13.257 -28.821 1.00 22.10 H new ATOM 0 HG1 THR A 53 -21.736 -14.390 -26.735 1.00 4.10 H new ATOM 0 HG21 THR A 53 -22.003 -15.627 -28.680 1.00 73.15 H new ATOM 0 HG22 THR A 53 -20.842 -15.351 -30.000 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.298 -16.095 -28.478 1.00 73.15 H new ATOM 811 N VAL A 54 -18.001 -14.451 -30.585 1.00 32.13 N ATOM 812 CA VAL A 54 -17.689 -14.621 -31.999 1.00 13.12 C ATOM 813 C VAL A 54 -18.312 -15.899 -32.550 1.00 43.23 C ATOM 814 O VAL A 54 -17.811 -16.999 -32.317 1.00 33.41 O ATOM 815 CB VAL A 54 -16.168 -14.663 -32.237 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.859 -14.646 -33.726 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.487 -13.501 -31.531 1.00 23.13 C ATOM 0 H VAL A 54 -17.402 -14.983 -29.954 1.00 32.13 H new ATOM 0 HA VAL A 54 -18.108 -13.761 -32.521 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.778 -15.592 -31.820 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.780 -14.676 -33.874 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -16.315 -15.514 -34.202 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -16.261 -13.736 -34.171 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.413 -13.546 -31.710 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.880 -12.560 -31.917 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.680 -13.563 -30.460 1.00 23.13 H new ATOM 827 N THR A 55 -19.411 -15.746 -33.283 1.00 72.51 N ATOM 828 CA THR A 55 -20.105 -16.887 -33.867 1.00 13.41 C ATOM 829 C THR A 55 -19.845 -16.980 -35.366 1.00 72.34 C ATOM 830 O THR A 55 -20.440 -16.245 -36.154 1.00 31.15 O ATOM 831 CB THR A 55 -21.623 -16.805 -33.625 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.885 -16.499 -32.250 1.00 62.32 O ATOM 833 CG2 THR A 55 -22.303 -18.115 -33.996 1.00 41.24 C ATOM 0 H THR A 55 -19.839 -14.843 -33.486 1.00 72.51 H new ATOM 0 HA THR A 55 -19.714 -17.779 -33.377 1.00 13.41 H new ATOM 0 HB THR A 55 -22.026 -16.013 -34.257 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.853 -16.447 -32.105 1.00 62.32 H new ATOM 0 HG21 THR A 55 -23.375 -18.032 -33.816 1.00 41.24 H new ATOM 0 HG22 THR A 55 -22.127 -18.330 -35.050 1.00 41.24 H new ATOM 0 HG23 THR A 55 -21.894 -18.922 -33.388 1.00 41.24 H new ATOM 841 N GLU A 56 -18.955 -17.888 -35.752 1.00 35.15 N ATOM 842 CA GLU A 56 -18.617 -18.076 -37.160 1.00 50.02 C ATOM 843 C GLU A 56 -19.790 -18.684 -37.923 1.00 33.31 C ATOM 844 O GLU A 56 -19.746 -18.814 -39.146 1.00 34.50 O ATOM 845 CB GLU A 56 -17.386 -18.972 -37.295 1.00 71.10 C ATOM 846 CG GLU A 56 -17.578 -20.365 -36.717 1.00 33.33 C ATOM 847 CD GLU A 56 -18.206 -21.326 -37.707 1.00 43.00 C ATOM 848 OE1 GLU A 56 -17.579 -21.594 -38.753 1.00 54.40 O ATOM 849 OE2 GLU A 56 -19.326 -21.809 -37.436 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.455 -18.505 -35.112 1.00 35.15 H new ATOM 0 HA GLU A 56 -18.394 -17.099 -37.589 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -17.124 -19.059 -38.350 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -16.543 -18.494 -36.796 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -16.613 -20.758 -36.397 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -18.207 -20.302 -35.829 1.00 33.33 H new