USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 322 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.9) USER MOD Single : A 18 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.68) USER MOD Single : A 20 SER OG : rot -160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.408 2.119 -2.721 1.00 22.12 N ATOM 2 CA MET A 1 3.467 1.621 -3.591 1.00 73.45 C ATOM 3 C MET A 1 4.009 0.289 -3.081 1.00 10.41 C ATOM 4 O MET A 1 5.139 0.211 -2.598 1.00 0.44 O ATOM 5 CB MET A 1 4.600 2.643 -3.688 1.00 45.12 C ATOM 6 CG MET A 1 4.324 3.765 -4.676 1.00 4.00 C ATOM 7 SD MET A 1 5.717 4.897 -4.848 1.00 41.21 S ATOM 8 CE MET A 1 5.057 6.069 -6.031 1.00 14.02 C ATOM 0 H1 MET A 1 2.055 3.026 -3.088 1.00 22.12 H new ATOM 0 H2 MET A 1 1.629 1.430 -2.693 1.00 22.12 H new ATOM 0 H3 MET A 1 2.783 2.257 -1.761 1.00 22.12 H new ATOM 0 HA MET A 1 3.044 1.464 -4.583 1.00 73.45 H new ATOM 0 HB2 MET A 1 4.775 3.073 -2.702 1.00 45.12 H new ATOM 0 HB3 MET A 1 5.517 2.130 -3.980 1.00 45.12 H new ATOM 0 HG2 MET A 1 4.087 3.336 -5.650 1.00 4.00 H new ATOM 0 HG3 MET A 1 3.446 4.323 -4.351 1.00 4.00 H new ATOM 0 HE1 MET A 1 5.804 6.834 -6.240 1.00 14.02 H new ATOM 0 HE2 MET A 1 4.801 5.549 -6.954 1.00 14.02 H new ATOM 0 HE3 MET A 1 4.163 6.538 -5.619 1.00 14.02 H new ATOM 18 N THR A 2 3.196 -0.757 -3.191 1.00 23.04 N ATOM 19 CA THR A 2 3.594 -2.084 -2.739 1.00 30.32 C ATOM 20 C THR A 2 4.841 -2.564 -3.473 1.00 31.24 C ATOM 21 O THR A 2 5.115 -2.139 -4.594 1.00 61.42 O ATOM 22 CB THR A 2 2.464 -3.110 -2.946 1.00 33.25 C ATOM 23 OG1 THR A 2 2.867 -4.391 -2.447 1.00 42.43 O ATOM 24 CG2 THR A 2 2.100 -3.225 -4.418 1.00 71.12 C ATOM 0 H THR A 2 2.258 -0.711 -3.589 1.00 23.04 H new ATOM 0 HA THR A 2 3.811 -2.003 -1.674 1.00 30.32 H new ATOM 0 HB THR A 2 1.587 -2.767 -2.397 1.00 33.25 H new ATOM 0 HG1 THR A 2 2.142 -5.037 -2.581 1.00 42.43 H new ATOM 0 HG21 THR A 2 1.300 -3.955 -4.539 1.00 71.12 H new ATOM 0 HG22 THR A 2 1.765 -2.255 -4.787 1.00 71.12 H new ATOM 0 HG23 THR A 2 2.974 -3.547 -4.985 1.00 71.12 H new ATOM 32 N GLY A 3 5.594 -3.453 -2.832 1.00 31.40 N ATOM 33 CA GLY A 3 6.803 -3.977 -3.440 1.00 41.11 C ATOM 34 C GLY A 3 7.995 -3.917 -2.505 1.00 51.14 C ATOM 35 O GLY A 3 9.120 -3.660 -2.937 1.00 33.10 O ATOM 0 H GLY A 3 5.388 -3.819 -1.903 1.00 31.40 H new ATOM 0 HA2 GLY A 3 6.635 -5.010 -3.744 1.00 41.11 H new ATOM 0 HA3 GLY A 3 7.026 -3.411 -4.345 1.00 41.11 H new ATOM 39 N LEU A 4 7.750 -4.152 -1.221 1.00 71.42 N ATOM 40 CA LEU A 4 8.812 -4.122 -0.222 1.00 20.44 C ATOM 41 C LEU A 4 9.739 -5.324 -0.376 1.00 42.31 C ATOM 42 O LEU A 4 10.942 -5.169 -0.588 1.00 75.10 O ATOM 43 CB LEU A 4 8.214 -4.103 1.186 1.00 30.12 C ATOM 44 CG LEU A 4 7.373 -2.876 1.541 1.00 24.25 C ATOM 45 CD1 LEU A 4 5.920 -3.093 1.150 1.00 31.41 C ATOM 46 CD2 LEU A 4 7.487 -2.564 3.027 1.00 52.15 C ATOM 0 H LEU A 4 6.825 -4.365 -0.847 1.00 71.42 H new ATOM 0 HA LEU A 4 9.395 -3.214 -0.375 1.00 20.44 H new ATOM 0 HB2 LEU A 4 7.594 -4.991 1.308 1.00 30.12 H new ATOM 0 HB3 LEU A 4 9.028 -4.181 1.906 1.00 30.12 H new ATOM 0 HG LEU A 4 7.755 -2.023 0.980 1.00 24.25 H new ATOM 0 HD11 LEU A 4 5.337 -2.209 1.410 1.00 31.41 H new ATOM 0 HD12 LEU A 4 5.854 -3.267 0.076 1.00 31.41 H new ATOM 0 HD13 LEU A 4 5.525 -3.958 1.683 1.00 31.41 H new ATOM 0 HD21 LEU A 4 6.882 -1.688 3.262 1.00 52.15 H new ATOM 0 HD22 LEU A 4 7.132 -3.416 3.606 1.00 52.15 H new ATOM 0 HD23 LEU A 4 8.529 -2.364 3.278 1.00 52.15 H new ATOM 58 N ALA A 5 9.171 -6.521 -0.270 1.00 42.44 N ATOM 59 CA ALA A 5 9.946 -7.748 -0.403 1.00 32.24 C ATOM 60 C ALA A 5 9.595 -8.482 -1.692 1.00 64.25 C ATOM 61 O ALA A 5 10.428 -9.187 -2.261 1.00 60.52 O ATOM 62 CB ALA A 5 9.714 -8.651 0.800 1.00 1.42 C ATOM 0 H ALA A 5 8.177 -6.667 -0.092 1.00 42.44 H new ATOM 0 HA ALA A 5 11.002 -7.479 -0.445 1.00 32.24 H new ATOM 0 HB1 ALA A 5 10.299 -9.564 0.688 1.00 1.42 H new ATOM 0 HB2 ALA A 5 10.021 -8.133 1.708 1.00 1.42 H new ATOM 0 HB3 ALA A 5 8.656 -8.904 0.866 1.00 1.42 H new ATOM 68 N GLU A 6 8.358 -8.312 -2.148 1.00 0.24 N ATOM 69 CA GLU A 6 7.898 -8.960 -3.370 1.00 64.31 C ATOM 70 C GLU A 6 8.849 -8.674 -4.529 1.00 2.33 C ATOM 71 O GLU A 6 9.316 -9.591 -5.204 1.00 13.40 O ATOM 72 CB GLU A 6 6.487 -8.487 -3.725 1.00 62.41 C ATOM 73 CG GLU A 6 5.390 -9.237 -2.987 1.00 44.41 C ATOM 74 CD GLU A 6 4.012 -8.664 -3.254 1.00 73.50 C ATOM 75 OE1 GLU A 6 3.083 -9.456 -3.520 1.00 31.15 O ATOM 76 OE2 GLU A 6 3.862 -7.426 -3.198 1.00 35.22 O ATOM 0 H GLU A 6 7.657 -7.731 -1.689 1.00 0.24 H new ATOM 0 HA GLU A 6 7.879 -10.036 -3.195 1.00 64.31 H new ATOM 0 HB2 GLU A 6 6.402 -7.424 -3.501 1.00 62.41 H new ATOM 0 HB3 GLU A 6 6.334 -8.600 -4.798 1.00 62.41 H new ATOM 0 HG2 GLU A 6 5.408 -10.285 -3.285 1.00 44.41 H new ATOM 0 HG3 GLU A 6 5.591 -9.207 -1.916 1.00 44.41 H new ATOM 83 N ALA A 7 9.131 -7.394 -4.752 1.00 61.44 N ATOM 84 CA ALA A 7 10.027 -6.986 -5.828 1.00 33.25 C ATOM 85 C ALA A 7 11.360 -7.722 -5.741 1.00 14.12 C ATOM 86 O ALA A 7 11.907 -8.155 -6.755 1.00 71.41 O ATOM 87 CB ALA A 7 10.249 -5.481 -5.787 1.00 34.51 C ATOM 0 H ALA A 7 8.752 -6.623 -4.203 1.00 61.44 H new ATOM 0 HA ALA A 7 9.559 -7.248 -6.777 1.00 33.25 H new ATOM 0 HB1 ALA A 7 10.920 -5.190 -6.595 1.00 34.51 H new ATOM 0 HB2 ALA A 7 9.294 -4.969 -5.906 1.00 34.51 H new ATOM 0 HB3 ALA A 7 10.693 -5.205 -4.830 1.00 34.51 H new ATOM 93 N ILE A 8 11.877 -7.858 -4.524 1.00 74.45 N ATOM 94 CA ILE A 8 13.145 -8.542 -4.307 1.00 24.14 C ATOM 95 C ILE A 8 13.003 -10.045 -4.519 1.00 63.42 C ATOM 96 O ILE A 8 13.929 -10.706 -4.989 1.00 72.33 O ATOM 97 CB ILE A 8 13.687 -8.285 -2.888 1.00 44.52 C ATOM 98 CG1 ILE A 8 13.699 -6.784 -2.588 1.00 24.31 C ATOM 99 CG2 ILE A 8 15.083 -8.871 -2.740 1.00 23.10 C ATOM 100 CD1 ILE A 8 14.501 -5.975 -3.583 1.00 65.31 C ATOM 0 H ILE A 8 11.437 -7.504 -3.675 1.00 74.45 H new ATOM 0 HA ILE A 8 13.849 -8.140 -5.036 1.00 24.14 H new ATOM 0 HB ILE A 8 13.030 -8.775 -2.169 1.00 44.52 H new ATOM 0 HG12 ILE A 8 12.673 -6.416 -2.576 1.00 24.31 H new ATOM 0 HG13 ILE A 8 14.107 -6.625 -1.590 1.00 24.31 H new ATOM 0 HG21 ILE A 8 15.452 -8.681 -1.732 1.00 23.10 H new ATOM 0 HG22 ILE A 8 15.047 -9.946 -2.917 1.00 23.10 H new ATOM 0 HG23 ILE A 8 15.751 -8.406 -3.465 1.00 23.10 H new ATOM 0 HD11 ILE A 8 14.465 -4.921 -3.308 1.00 65.31 H new ATOM 0 HD12 ILE A 8 15.536 -6.316 -3.579 1.00 65.31 H new ATOM 0 HD13 ILE A 8 14.080 -6.104 -4.580 1.00 65.31 H new ATOM 112 N ALA A 9 11.837 -10.579 -4.171 1.00 70.11 N ATOM 113 CA ALA A 9 11.572 -12.004 -4.327 1.00 52.24 C ATOM 114 C ALA A 9 11.193 -12.337 -5.766 1.00 70.24 C ATOM 115 O ALA A 9 10.929 -13.492 -6.097 1.00 22.42 O ATOM 116 CB ALA A 9 10.470 -12.443 -3.374 1.00 62.32 C ATOM 0 H ALA A 9 11.061 -10.046 -3.779 1.00 70.11 H new ATOM 0 HA ALA A 9 12.485 -12.547 -4.084 1.00 52.24 H new ATOM 0 HB1 ALA A 9 10.282 -13.509 -3.501 1.00 62.32 H new ATOM 0 HB2 ALA A 9 10.779 -12.249 -2.347 1.00 62.32 H new ATOM 0 HB3 ALA A 9 9.558 -11.886 -3.590 1.00 62.32 H new ATOM 122 N ASN A 10 11.167 -11.317 -6.618 1.00 64.21 N ATOM 123 CA ASN A 10 10.819 -11.502 -8.022 1.00 63.42 C ATOM 124 C ASN A 10 12.038 -11.935 -8.832 1.00 75.42 C ATOM 125 O ASN A 10 11.912 -12.391 -9.969 1.00 54.25 O ATOM 126 CB ASN A 10 10.241 -10.209 -8.601 1.00 25.32 C ATOM 127 CG ASN A 10 9.100 -10.467 -9.566 1.00 4.11 C ATOM 128 OD1 ASN A 10 9.053 -11.505 -10.225 1.00 72.42 O ATOM 129 ND2 ASN A 10 8.174 -9.519 -9.653 1.00 21.31 N ATOM 0 H ASN A 10 11.383 -10.354 -6.360 1.00 64.21 H new ATOM 0 HA ASN A 10 10.066 -12.288 -8.083 1.00 63.42 H new ATOM 0 HB2 ASN A 10 9.889 -9.575 -7.787 1.00 25.32 H new ATOM 0 HB3 ASN A 10 11.030 -9.659 -9.114 1.00 25.32 H new ATOM 0 HD21 ASN A 10 7.383 -9.636 -10.286 1.00 21.31 H new ATOM 0 HD22 ASN A 10 8.254 -8.674 -9.087 1.00 21.31 H new ATOM 136 N THR A 11 13.218 -11.791 -8.238 1.00 42.13 N ATOM 137 CA THR A 11 14.459 -12.166 -8.904 1.00 24.04 C ATOM 138 C THR A 11 15.137 -13.329 -8.188 1.00 41.01 C ATOM 139 O THR A 11 15.875 -14.102 -8.799 1.00 72.13 O ATOM 140 CB THR A 11 15.440 -10.980 -8.974 1.00 73.00 C ATOM 141 OG1 THR A 11 16.689 -11.409 -9.526 1.00 23.41 O ATOM 142 CG2 THR A 11 15.668 -10.384 -7.593 1.00 54.43 C ATOM 0 H THR A 11 13.341 -11.417 -7.297 1.00 42.13 H new ATOM 0 HA THR A 11 14.195 -12.470 -9.917 1.00 24.04 H new ATOM 0 HB THR A 11 15.004 -10.214 -9.615 1.00 73.00 H new ATOM 0 HG1 THR A 11 17.306 -10.649 -9.568 1.00 23.41 H new ATOM 0 HG21 THR A 11 16.364 -9.548 -7.668 1.00 54.43 H new ATOM 0 HG22 THR A 11 14.720 -10.031 -7.188 1.00 54.43 H new ATOM 0 HG23 THR A 11 16.084 -11.145 -6.933 1.00 54.43 H new ATOM 150 N VAL A 12 14.882 -13.448 -6.889 1.00 32.20 N ATOM 151 CA VAL A 12 15.466 -14.519 -6.090 1.00 41.21 C ATOM 152 C VAL A 12 15.150 -15.885 -6.687 1.00 71.43 C ATOM 153 O VAL A 12 15.884 -16.850 -6.476 1.00 62.12 O ATOM 154 CB VAL A 12 14.958 -14.476 -4.637 1.00 10.13 C ATOM 155 CG1 VAL A 12 15.222 -13.111 -4.019 1.00 21.44 C ATOM 156 CG2 VAL A 12 13.477 -14.818 -4.580 1.00 72.32 C ATOM 0 H VAL A 12 14.275 -12.816 -6.367 1.00 32.20 H new ATOM 0 HA VAL A 12 16.545 -14.365 -6.095 1.00 41.21 H new ATOM 0 HB VAL A 12 15.502 -15.222 -4.058 1.00 10.13 H new ATOM 0 HG11 VAL A 12 14.856 -13.100 -2.992 1.00 21.44 H new ATOM 0 HG12 VAL A 12 16.293 -12.910 -4.025 1.00 21.44 H new ATOM 0 HG13 VAL A 12 14.706 -12.344 -4.597 1.00 21.44 H new ATOM 0 HG21 VAL A 12 13.135 -14.783 -3.546 1.00 72.32 H new ATOM 0 HG22 VAL A 12 12.914 -14.097 -5.173 1.00 72.32 H new ATOM 0 HG23 VAL A 12 13.319 -15.819 -4.980 1.00 72.32 H new ATOM 166 N GLN A 13 14.053 -15.959 -7.434 1.00 31.31 N ATOM 167 CA GLN A 13 13.640 -17.209 -8.062 1.00 14.31 C ATOM 168 C GLN A 13 14.789 -17.828 -8.850 1.00 60.01 C ATOM 169 O GLN A 13 14.976 -19.044 -8.841 1.00 24.22 O ATOM 170 CB GLN A 13 12.444 -16.969 -8.985 1.00 15.02 C ATOM 171 CG GLN A 13 11.128 -16.797 -8.243 1.00 74.42 C ATOM 172 CD GLN A 13 10.075 -17.796 -8.684 1.00 1.54 C ATOM 173 OE1 GLN A 13 9.383 -17.587 -9.681 1.00 5.42 O ATOM 174 NE2 GLN A 13 9.948 -18.889 -7.941 1.00 1.12 N ATOM 0 H GLN A 13 13.435 -15.169 -7.619 1.00 31.31 H new ATOM 0 HA GLN A 13 13.349 -17.904 -7.274 1.00 14.31 H new ATOM 0 HB2 GLN A 13 12.632 -16.079 -9.586 1.00 15.02 H new ATOM 0 HB3 GLN A 13 12.355 -17.807 -9.676 1.00 15.02 H new ATOM 0 HG2 GLN A 13 11.302 -16.906 -7.173 1.00 74.42 H new ATOM 0 HG3 GLN A 13 10.754 -15.786 -8.403 1.00 74.42 H new ATOM 0 HE21 GLN A 13 10.543 -19.021 -7.123 1.00 1.12 H new ATOM 0 HE22 GLN A 13 9.256 -19.596 -8.188 1.00 1.12 H new ATOM 183 N ALA A 14 15.556 -16.983 -9.532 1.00 15.03 N ATOM 184 CA ALA A 14 16.688 -17.447 -10.324 1.00 35.41 C ATOM 185 C ALA A 14 18.009 -16.998 -9.709 1.00 52.04 C ATOM 186 O ALA A 14 18.996 -17.733 -9.731 1.00 12.41 O ATOM 187 CB ALA A 14 16.571 -16.945 -11.755 1.00 62.35 C ATOM 0 H ALA A 14 15.413 -15.973 -9.552 1.00 15.03 H new ATOM 0 HA ALA A 14 16.673 -18.537 -10.331 1.00 35.41 H new ATOM 0 HB1 ALA A 14 17.423 -17.299 -12.336 1.00 62.35 H new ATOM 0 HB2 ALA A 14 15.649 -17.321 -12.198 1.00 62.35 H new ATOM 0 HB3 ALA A 14 16.557 -15.855 -11.758 1.00 62.35 H new ATOM 193 N ALA A 15 18.020 -15.787 -9.163 1.00 2.41 N ATOM 194 CA ALA A 15 19.220 -15.240 -8.541 1.00 61.24 C ATOM 195 C ALA A 15 19.558 -15.983 -7.253 1.00 61.23 C ATOM 196 O ALA A 15 20.708 -16.359 -7.027 1.00 51.10 O ATOM 197 CB ALA A 15 19.042 -13.755 -8.265 1.00 14.31 C ATOM 0 H ALA A 15 17.212 -15.166 -9.139 1.00 2.41 H new ATOM 0 HA ALA A 15 20.051 -15.372 -9.234 1.00 61.24 H new ATOM 0 HB1 ALA A 15 19.946 -13.360 -7.801 1.00 14.31 H new ATOM 0 HB2 ALA A 15 18.857 -13.230 -9.202 1.00 14.31 H new ATOM 0 HB3 ALA A 15 18.196 -13.609 -7.594 1.00 14.31 H new ATOM 203 N GLN A 16 18.549 -16.191 -6.413 1.00 44.51 N ATOM 204 CA GLN A 16 18.741 -16.888 -5.147 1.00 5.51 C ATOM 205 C GLN A 16 19.736 -16.144 -4.262 1.00 24.13 C ATOM 206 O GLN A 16 20.530 -16.761 -3.551 1.00 53.22 O ATOM 207 CB GLN A 16 19.230 -18.316 -5.396 1.00 11.44 C ATOM 208 CG GLN A 16 18.378 -19.085 -6.392 1.00 70.20 C ATOM 209 CD GLN A 16 18.863 -20.506 -6.600 1.00 21.34 C ATOM 210 OE1 GLN A 16 18.563 -21.399 -5.807 1.00 34.23 O ATOM 211 NE2 GLN A 16 19.618 -20.724 -7.670 1.00 60.01 N ATOM 0 H GLN A 16 17.591 -15.887 -6.586 1.00 44.51 H new ATOM 0 HA GLN A 16 17.781 -16.925 -4.632 1.00 5.51 H new ATOM 0 HB2 GLN A 16 20.257 -18.281 -5.759 1.00 11.44 H new ATOM 0 HB3 GLN A 16 19.245 -18.856 -4.450 1.00 11.44 H new ATOM 0 HG2 GLN A 16 17.346 -19.105 -6.042 1.00 70.20 H new ATOM 0 HG3 GLN A 16 18.381 -18.561 -7.348 1.00 70.20 H new ATOM 0 HE21 GLN A 16 19.842 -19.955 -8.301 1.00 60.01 H new ATOM 0 HE22 GLN A 16 19.974 -21.661 -7.861 1.00 60.01 H new ATOM 220 N GLN A 17 19.688 -14.817 -4.311 1.00 11.21 N ATOM 221 CA GLN A 17 20.586 -13.990 -3.514 1.00 23.12 C ATOM 222 C GLN A 17 22.038 -14.209 -3.927 1.00 70.01 C ATOM 223 O GLN A 17 22.933 -14.264 -3.083 1.00 61.11 O ATOM 224 CB GLN A 17 20.415 -14.301 -2.026 1.00 73.40 C ATOM 225 CG GLN A 17 18.963 -14.442 -1.597 1.00 40.33 C ATOM 226 CD GLN A 17 18.815 -14.687 -0.109 1.00 2.14 C ATOM 227 OE1 GLN A 17 19.744 -14.454 0.666 1.00 54.41 O ATOM 228 NE2 GLN A 17 17.644 -15.160 0.300 1.00 13.13 N ATOM 0 H GLN A 17 19.037 -14.291 -4.894 1.00 11.21 H new ATOM 0 HA GLN A 17 20.330 -12.945 -3.691 1.00 23.12 H new ATOM 0 HB2 GLN A 17 20.945 -15.224 -1.793 1.00 73.40 H new ATOM 0 HB3 GLN A 17 20.883 -13.509 -1.442 1.00 73.40 H new ATOM 0 HG2 GLN A 17 18.419 -13.537 -1.868 1.00 40.33 H new ATOM 0 HG3 GLN A 17 18.505 -15.266 -2.144 1.00 40.33 H new ATOM 0 HE21 GLN A 17 16.902 -15.339 -0.376 1.00 13.13 H new ATOM 0 HE22 GLN A 17 17.486 -15.345 1.291 1.00 13.13 H new ATOM 237 N HIS A 18 22.265 -14.334 -5.231 1.00 14.21 N ATOM 238 CA HIS A 18 23.608 -14.547 -5.756 1.00 45.34 C ATOM 239 C HIS A 18 24.118 -13.297 -6.468 1.00 51.00 C ATOM 240 O HIS A 18 24.964 -12.573 -5.942 1.00 53.05 O ATOM 241 CB HIS A 18 23.621 -15.736 -6.718 1.00 14.34 C ATOM 242 CG HIS A 18 24.915 -15.899 -7.452 1.00 44.35 C ATOM 243 ND1 HIS A 18 25.119 -15.427 -8.732 1.00 2.30 N ATOM 244 CD2 HIS A 18 26.077 -16.484 -7.080 1.00 24.25 C ATOM 245 CE1 HIS A 18 26.350 -15.716 -9.115 1.00 31.50 C ATOM 246 NE2 HIS A 18 26.953 -16.358 -8.130 1.00 54.21 N ATOM 0 H HIS A 18 21.536 -14.291 -5.943 1.00 14.21 H new ATOM 0 HA HIS A 18 24.269 -14.761 -4.916 1.00 45.34 H new ATOM 0 HB2 HIS A 18 23.413 -16.648 -6.158 1.00 14.34 H new ATOM 0 HB3 HIS A 18 22.815 -15.616 -7.442 1.00 14.34 H new ATOM 0 HD2 HIS A 18 26.278 -16.962 -6.133 1.00 24.25 H new ATOM 0 HE1 HIS A 18 26.789 -15.469 -10.071 1.00 31.50 H new ATOM 0 HE2 HIS A 18 27.913 -16.704 -8.147 1.00 54.21 H new ATOM 254 N ASP A 19 23.598 -13.051 -7.666 1.00 4.14 N ATOM 255 CA ASP A 19 24.000 -11.889 -8.449 1.00 43.52 C ATOM 256 C ASP A 19 23.778 -10.600 -7.663 1.00 64.12 C ATOM 257 O ASP A 19 24.445 -9.593 -7.901 1.00 63.24 O ATOM 258 CB ASP A 19 23.221 -11.839 -9.764 1.00 71.13 C ATOM 259 CG ASP A 19 23.951 -11.061 -10.841 1.00 41.11 C ATOM 260 OD1 ASP A 19 25.030 -11.517 -11.275 1.00 2.23 O ATOM 261 OD2 ASP A 19 23.443 -9.996 -11.251 1.00 22.50 O ATOM 0 H ASP A 19 22.898 -13.641 -8.115 1.00 4.14 H new ATOM 0 HA ASP A 19 25.064 -11.981 -8.669 1.00 43.52 H new ATOM 0 HB2 ASP A 19 23.039 -12.855 -10.114 1.00 71.13 H new ATOM 0 HB3 ASP A 19 22.246 -11.383 -9.588 1.00 71.13 H new ATOM 266 N SER A 20 22.836 -10.639 -6.726 1.00 63.24 N ATOM 267 CA SER A 20 22.523 -9.473 -5.909 1.00 33.45 C ATOM 268 C SER A 20 23.655 -9.175 -4.930 1.00 61.45 C ATOM 269 O SER A 20 23.843 -8.034 -4.510 1.00 4.13 O ATOM 270 CB SER A 20 21.218 -9.698 -5.142 1.00 53.43 C ATOM 271 OG SER A 20 21.465 -10.273 -3.871 1.00 40.01 O ATOM 0 H SER A 20 22.277 -11.465 -6.514 1.00 63.24 H new ATOM 0 HA SER A 20 22.405 -8.616 -6.573 1.00 33.45 H new ATOM 0 HB2 SER A 20 20.696 -8.749 -5.020 1.00 53.43 H new ATOM 0 HB3 SER A 20 20.562 -10.350 -5.718 1.00 53.43 H new ATOM 0 HG SER A 20 20.645 -10.694 -3.537 1.00 40.01 H new ATOM 277 N VAL A 21 24.407 -10.211 -4.573 1.00 24.35 N ATOM 278 CA VAL A 21 25.522 -10.062 -3.645 1.00 64.10 C ATOM 279 C VAL A 21 26.578 -9.115 -4.203 1.00 44.30 C ATOM 280 O VAL A 21 27.349 -8.514 -3.453 1.00 73.42 O ATOM 281 CB VAL A 21 26.180 -11.420 -3.334 1.00 75.14 C ATOM 282 CG1 VAL A 21 27.311 -11.249 -2.333 1.00 23.04 C ATOM 283 CG2 VAL A 21 25.144 -12.407 -2.818 1.00 13.04 C ATOM 0 H VAL A 21 24.265 -11.162 -4.912 1.00 24.35 H new ATOM 0 HA VAL A 21 25.113 -9.645 -2.724 1.00 64.10 H new ATOM 0 HB VAL A 21 26.602 -11.820 -4.256 1.00 75.14 H new ATOM 0 HG11 VAL A 21 27.763 -12.219 -2.126 1.00 23.04 H new ATOM 0 HG12 VAL A 21 28.064 -10.578 -2.746 1.00 23.04 H new ATOM 0 HG13 VAL A 21 26.918 -10.827 -1.408 1.00 23.04 H new ATOM 0 HG21 VAL A 21 25.626 -13.361 -2.603 1.00 13.04 H new ATOM 0 HG22 VAL A 21 24.691 -12.016 -1.907 1.00 13.04 H new ATOM 0 HG23 VAL A 21 24.372 -12.552 -3.574 1.00 13.04 H new ATOM 293 N LYS A 22 26.609 -8.984 -5.525 1.00 32.11 N ATOM 294 CA LYS A 22 27.569 -8.108 -6.186 1.00 31.12 C ATOM 295 C LYS A 22 26.860 -6.952 -6.883 1.00 51.43 C ATOM 296 O LYS A 22 27.441 -5.884 -7.083 1.00 55.21 O ATOM 297 CB LYS A 22 28.398 -8.899 -7.201 1.00 15.12 C ATOM 298 CG LYS A 22 29.788 -8.331 -7.425 1.00 42.21 C ATOM 299 CD LYS A 22 30.651 -8.462 -6.181 1.00 43.45 C ATOM 300 CE LYS A 22 32.074 -7.987 -6.438 1.00 35.24 C ATOM 301 NZ LYS A 22 32.976 -8.295 -5.294 1.00 34.34 N ATOM 0 H LYS A 22 25.979 -9.474 -6.160 1.00 32.11 H new ATOM 0 HA LYS A 22 28.233 -7.698 -5.425 1.00 31.12 H new ATOM 0 HB2 LYS A 22 28.487 -9.930 -6.860 1.00 15.12 H new ATOM 0 HB3 LYS A 22 27.866 -8.922 -8.152 1.00 15.12 H new ATOM 0 HG2 LYS A 22 30.265 -8.851 -8.256 1.00 42.21 H new ATOM 0 HG3 LYS A 22 29.712 -7.281 -7.707 1.00 42.21 H new ATOM 0 HD2 LYS A 22 30.213 -7.880 -5.370 1.00 43.45 H new ATOM 0 HD3 LYS A 22 30.667 -9.502 -5.855 1.00 43.45 H new ATOM 0 HE2 LYS A 22 32.458 -8.461 -7.341 1.00 35.24 H new ATOM 0 HE3 LYS A 22 32.071 -6.912 -6.619 1.00 35.24 H new ATOM 0 HZ1 LYS A 22 33.936 -7.956 -5.508 1.00 34.34 H new ATOM 0 HZ2 LYS A 22 32.624 -7.822 -4.437 1.00 34.34 H new ATOM 0 HZ3 LYS A 22 32.999 -9.323 -5.137 1.00 34.34 H new ATOM 315 N LEU A 23 25.602 -7.170 -7.251 1.00 21.14 N ATOM 316 CA LEU A 23 24.813 -6.145 -7.925 1.00 32.04 C ATOM 317 C LEU A 23 23.394 -6.095 -7.367 1.00 21.54 C ATOM 318 O LEU A 23 22.488 -6.746 -7.887 1.00 4.52 O ATOM 319 CB LEU A 23 24.772 -6.413 -9.430 1.00 52.11 C ATOM 320 CG LEU A 23 24.571 -5.189 -10.324 1.00 53.14 C ATOM 321 CD1 LEU A 23 23.224 -4.540 -10.046 1.00 74.23 C ATOM 322 CD2 LEU A 23 25.699 -4.188 -10.120 1.00 72.34 C ATOM 0 H LEU A 23 25.107 -8.048 -7.094 1.00 21.14 H new ATOM 0 HA LEU A 23 25.288 -5.180 -7.747 1.00 32.04 H new ATOM 0 HB2 LEU A 23 25.704 -6.899 -9.718 1.00 52.11 H new ATOM 0 HB3 LEU A 23 23.968 -7.121 -9.631 1.00 52.11 H new ATOM 0 HG LEU A 23 24.586 -5.516 -11.364 1.00 53.14 H new ATOM 0 HD11 LEU A 23 23.099 -3.671 -10.692 1.00 74.23 H new ATOM 0 HD12 LEU A 23 22.427 -5.257 -10.244 1.00 74.23 H new ATOM 0 HD13 LEU A 23 23.179 -4.227 -9.003 1.00 74.23 H new ATOM 0 HD21 LEU A 23 25.539 -3.323 -10.764 1.00 72.34 H new ATOM 0 HD22 LEU A 23 25.716 -3.866 -9.079 1.00 72.34 H new ATOM 0 HD23 LEU A 23 26.651 -4.656 -10.371 1.00 72.34 H new ATOM 334 N GLY A 24 23.208 -5.317 -6.305 1.00 20.24 N ATOM 335 CA GLY A 24 21.897 -5.195 -5.695 1.00 32.42 C ATOM 336 C GLY A 24 21.962 -4.641 -4.285 1.00 70.34 C ATOM 337 O GLY A 24 21.831 -5.383 -3.311 1.00 61.22 O ATOM 0 H GLY A 24 23.942 -4.769 -5.856 1.00 20.24 H new ATOM 0 HA2 GLY A 24 21.273 -4.545 -6.309 1.00 32.42 H new ATOM 0 HA3 GLY A 24 21.416 -6.173 -5.676 1.00 32.42 H new ATOM 341 N THR A 25 22.167 -3.332 -4.174 1.00 73.45 N ATOM 342 CA THR A 25 22.252 -2.680 -2.874 1.00 42.32 C ATOM 343 C THR A 25 20.904 -2.692 -2.163 1.00 70.11 C ATOM 344 O THR A 25 20.838 -2.631 -0.935 1.00 64.44 O ATOM 345 CB THR A 25 22.736 -1.223 -3.007 1.00 61.44 C ATOM 346 OG1 THR A 25 23.033 -0.685 -1.714 1.00 34.41 O ATOM 347 CG2 THR A 25 21.683 -0.364 -3.691 1.00 4.33 C ATOM 0 H THR A 25 22.277 -2.703 -4.969 1.00 73.45 H new ATOM 0 HA THR A 25 22.975 -3.244 -2.285 1.00 42.32 H new ATOM 0 HB THR A 25 23.639 -1.217 -3.617 1.00 61.44 H new ATOM 0 HG1 THR A 25 23.341 0.241 -1.808 1.00 34.41 H new ATOM 0 HG21 THR A 25 22.047 0.660 -3.774 1.00 4.33 H new ATOM 0 HG22 THR A 25 21.482 -0.759 -4.687 1.00 4.33 H new ATOM 0 HG23 THR A 25 20.765 -0.377 -3.103 1.00 4.33 H new ATOM 355 N SER A 26 19.830 -2.772 -2.942 1.00 51.21 N ATOM 356 CA SER A 26 18.482 -2.789 -2.386 1.00 70.21 C ATOM 357 C SER A 26 17.979 -4.221 -2.226 1.00 53.42 C ATOM 358 O SER A 26 16.866 -4.449 -1.750 1.00 24.30 O ATOM 359 CB SER A 26 17.527 -1.998 -3.283 1.00 25.15 C ATOM 360 OG SER A 26 18.206 -0.946 -3.947 1.00 60.52 O ATOM 0 H SER A 26 19.867 -2.826 -3.960 1.00 51.21 H new ATOM 0 HA SER A 26 18.515 -2.321 -1.402 1.00 70.21 H new ATOM 0 HB2 SER A 26 17.076 -2.665 -4.018 1.00 25.15 H new ATOM 0 HB3 SER A 26 16.714 -1.589 -2.683 1.00 25.15 H new ATOM 0 HG SER A 26 17.575 -0.457 -4.515 1.00 60.52 H new ATOM 366 N ILE A 27 18.806 -5.180 -2.628 1.00 14.03 N ATOM 367 CA ILE A 27 18.446 -6.589 -2.528 1.00 53.03 C ATOM 368 C ILE A 27 19.182 -7.265 -1.377 1.00 1.45 C ATOM 369 O ILE A 27 18.693 -8.233 -0.795 1.00 75.24 O ATOM 370 CB ILE A 27 18.757 -7.343 -3.835 1.00 22.04 C ATOM 371 CG1 ILE A 27 17.980 -6.729 -5.001 1.00 61.41 C ATOM 372 CG2 ILE A 27 18.422 -8.820 -3.686 1.00 45.35 C ATOM 373 CD1 ILE A 27 18.724 -5.615 -5.703 1.00 11.32 C ATOM 0 H ILE A 27 19.729 -5.007 -3.026 1.00 14.03 H new ATOM 0 HA ILE A 27 17.373 -6.628 -2.342 1.00 53.03 H new ATOM 0 HB ILE A 27 19.822 -7.252 -4.046 1.00 22.04 H new ATOM 0 HG12 ILE A 27 17.747 -7.511 -5.724 1.00 61.41 H new ATOM 0 HG13 ILE A 27 17.030 -6.344 -4.631 1.00 61.41 H new ATOM 0 HG21 ILE A 27 18.647 -9.340 -4.617 1.00 45.35 H new ATOM 0 HG22 ILE A 27 19.016 -9.248 -2.879 1.00 45.35 H new ATOM 0 HG23 ILE A 27 17.363 -8.931 -3.455 1.00 45.35 H new ATOM 0 HD11 ILE A 27 18.113 -5.227 -6.518 1.00 11.32 H new ATOM 0 HD12 ILE A 27 18.934 -4.814 -4.994 1.00 11.32 H new ATOM 0 HD13 ILE A 27 19.662 -6.000 -6.103 1.00 11.32 H new ATOM 385 N VAL A 28 20.361 -6.746 -1.050 1.00 5.41 N ATOM 386 CA VAL A 28 21.165 -7.296 0.035 1.00 60.41 C ATOM 387 C VAL A 28 20.638 -6.846 1.393 1.00 75.53 C ATOM 388 O VAL A 28 20.912 -7.474 2.416 1.00 71.03 O ATOM 389 CB VAL A 28 22.642 -6.880 -0.093 1.00 43.34 C ATOM 390 CG1 VAL A 28 23.282 -7.546 -1.302 1.00 22.13 C ATOM 391 CG2 VAL A 28 22.763 -5.366 -0.183 1.00 55.10 C ATOM 0 H VAL A 28 20.781 -5.945 -1.521 1.00 5.41 H new ATOM 0 HA VAL A 28 21.093 -8.381 -0.038 1.00 60.41 H new ATOM 0 HB VAL A 28 23.173 -7.212 0.799 1.00 43.34 H new ATOM 0 HG11 VAL A 28 24.326 -7.240 -1.376 1.00 22.13 H new ATOM 0 HG12 VAL A 28 23.228 -8.629 -1.192 1.00 22.13 H new ATOM 0 HG13 VAL A 28 22.751 -7.247 -2.206 1.00 22.13 H new ATOM 0 HG21 VAL A 28 23.814 -5.090 -0.273 1.00 55.10 H new ATOM 0 HG22 VAL A 28 22.218 -5.009 -1.057 1.00 55.10 H new ATOM 0 HG23 VAL A 28 22.345 -4.913 0.716 1.00 55.10 H new ATOM 401 N ASP A 29 19.879 -5.756 1.395 1.00 73.15 N ATOM 402 CA ASP A 29 19.311 -5.222 2.627 1.00 75.11 C ATOM 403 C ASP A 29 17.849 -5.633 2.774 1.00 30.53 C ATOM 404 O ASP A 29 17.095 -5.020 3.530 1.00 54.23 O ATOM 405 CB ASP A 29 19.429 -3.697 2.649 1.00 32.44 C ATOM 406 CG ASP A 29 18.535 -3.032 1.621 1.00 23.11 C ATOM 407 OD1 ASP A 29 18.145 -1.866 1.840 1.00 51.14 O ATOM 408 OD2 ASP A 29 18.227 -3.677 0.598 1.00 60.25 O ATOM 0 H ASP A 29 19.643 -5.225 0.557 1.00 73.15 H new ATOM 0 HA ASP A 29 19.872 -5.635 3.465 1.00 75.11 H new ATOM 0 HB2 ASP A 29 19.171 -3.330 3.642 1.00 32.44 H new ATOM 0 HB3 ASP A 29 20.465 -3.413 2.463 1.00 32.44 H new ATOM 413 N ILE A 30 17.456 -6.674 2.047 1.00 24.24 N ATOM 414 CA ILE A 30 16.086 -7.167 2.098 1.00 55.13 C ATOM 415 C ILE A 30 16.050 -8.669 2.358 1.00 64.14 C ATOM 416 O ILE A 30 15.281 -9.148 3.191 1.00 61.12 O ATOM 417 CB ILE A 30 15.331 -6.866 0.789 1.00 12.24 C ATOM 418 CG1 ILE A 30 15.312 -5.360 0.521 1.00 41.42 C ATOM 419 CG2 ILE A 30 13.914 -7.415 0.857 1.00 15.21 C ATOM 420 CD1 ILE A 30 14.646 -4.559 1.617 1.00 15.51 C ATOM 0 H ILE A 30 18.068 -7.192 1.416 1.00 24.24 H new ATOM 0 HA ILE A 30 15.595 -6.647 2.920 1.00 55.13 H new ATOM 0 HB ILE A 30 15.851 -7.356 -0.034 1.00 12.24 H new ATOM 0 HG12 ILE A 30 16.336 -5.009 0.397 1.00 41.42 H new ATOM 0 HG13 ILE A 30 14.794 -5.173 -0.420 1.00 41.42 H new ATOM 0 HG21 ILE A 30 13.393 -7.195 -0.075 1.00 15.21 H new ATOM 0 HG22 ILE A 30 13.949 -8.494 1.007 1.00 15.21 H new ATOM 0 HG23 ILE A 30 13.383 -6.950 1.688 1.00 15.21 H new ATOM 0 HD11 ILE A 30 14.669 -3.500 1.359 1.00 15.51 H new ATOM 0 HD12 ILE A 30 13.611 -4.883 1.727 1.00 15.51 H new ATOM 0 HD13 ILE A 30 15.177 -4.716 2.556 1.00 15.51 H new ATOM 432 N VAL A 31 16.890 -9.408 1.640 1.00 63.14 N ATOM 433 CA VAL A 31 16.958 -10.856 1.794 1.00 20.32 C ATOM 434 C VAL A 31 17.671 -11.238 3.086 1.00 23.33 C ATOM 435 O VAL A 31 17.474 -12.331 3.616 1.00 21.24 O ATOM 436 CB VAL A 31 17.684 -11.514 0.606 1.00 63.21 C ATOM 437 CG1 VAL A 31 17.009 -11.142 -0.705 1.00 71.22 C ATOM 438 CG2 VAL A 31 19.152 -11.114 0.591 1.00 31.24 C ATOM 0 H VAL A 31 17.533 -9.027 0.946 1.00 63.14 H new ATOM 0 HA VAL A 31 15.931 -11.219 1.828 1.00 20.32 H new ATOM 0 HB VAL A 31 17.627 -12.596 0.722 1.00 63.21 H new ATOM 0 HG11 VAL A 31 17.536 -11.616 -1.533 1.00 71.22 H new ATOM 0 HG12 VAL A 31 15.974 -11.483 -0.691 1.00 71.22 H new ATOM 0 HG13 VAL A 31 17.033 -10.060 -0.832 1.00 71.22 H new ATOM 0 HG21 VAL A 31 19.650 -11.588 -0.255 1.00 31.24 H new ATOM 0 HG22 VAL A 31 19.233 -10.031 0.499 1.00 31.24 H new ATOM 0 HG23 VAL A 31 19.626 -11.436 1.518 1.00 31.24 H new ATOM 448 N ALA A 32 18.501 -10.330 3.588 1.00 1.35 N ATOM 449 CA ALA A 32 19.242 -10.570 4.820 1.00 23.23 C ATOM 450 C ALA A 32 18.795 -9.618 5.925 1.00 63.43 C ATOM 451 O ALA A 32 18.695 -10.006 7.088 1.00 75.12 O ATOM 452 CB ALA A 32 20.737 -10.430 4.573 1.00 50.32 C ATOM 0 H ALA A 32 18.677 -9.421 3.160 1.00 1.35 H new ATOM 0 HA ALA A 32 19.033 -11.588 5.147 1.00 23.23 H new ATOM 0 HB1 ALA A 32 21.278 -10.612 5.502 1.00 50.32 H new ATOM 0 HB2 ALA A 32 21.051 -11.155 3.822 1.00 50.32 H new ATOM 0 HB3 ALA A 32 20.954 -9.423 4.218 1.00 50.32 H new ATOM 458 N ASN A 33 18.529 -8.371 5.552 1.00 2.43 N ATOM 459 CA ASN A 33 18.094 -7.363 6.512 1.00 10.34 C ATOM 460 C ASN A 33 16.571 -7.310 6.593 1.00 44.42 C ATOM 461 O ASN A 33 15.986 -7.563 7.644 1.00 35.34 O ATOM 462 CB ASN A 33 18.644 -5.988 6.125 1.00 33.41 C ATOM 463 CG ASN A 33 19.328 -5.291 7.285 1.00 32.53 C ATOM 464 OD1 ASN A 33 20.545 -5.380 7.447 1.00 61.13 O ATOM 465 ND2 ASN A 33 18.546 -4.593 8.100 1.00 34.44 N ATOM 0 H ASN A 33 18.607 -8.034 4.592 1.00 2.43 H new ATOM 0 HA ASN A 33 18.483 -7.639 7.492 1.00 10.34 H new ATOM 0 HB2 ASN A 33 19.352 -6.101 5.304 1.00 33.41 H new ATOM 0 HB3 ASN A 33 17.829 -5.364 5.759 1.00 33.41 H new ATOM 0 HD21 ASN A 33 18.950 -4.103 8.899 1.00 34.44 H new ATOM 0 HD22 ASN A 33 17.542 -4.547 7.928 1.00 34.44 H new ATOM 472 N GLY A 34 15.936 -6.978 5.473 1.00 61.33 N ATOM 473 CA GLY A 34 14.487 -6.898 5.437 1.00 25.33 C ATOM 474 C GLY A 34 13.824 -8.155 5.964 1.00 24.51 C ATOM 475 O GLY A 34 12.710 -8.107 6.486 1.00 44.31 O ATOM 0 H GLY A 34 16.399 -6.763 4.590 1.00 61.33 H new ATOM 0 HA2 GLY A 34 14.159 -6.043 6.028 1.00 25.33 H new ATOM 0 HA3 GLY A 34 14.161 -6.721 4.412 1.00 25.33 H new ATOM 479 N VAL A 35 14.509 -9.286 5.826 1.00 24.32 N ATOM 480 CA VAL A 35 13.980 -10.563 6.292 1.00 51.53 C ATOM 481 C VAL A 35 13.536 -10.475 7.747 1.00 33.15 C ATOM 482 O VAL A 35 12.610 -11.167 8.168 1.00 74.45 O ATOM 483 CB VAL A 35 15.022 -11.688 6.151 1.00 5.52 C ATOM 484 CG1 VAL A 35 16.186 -11.460 7.105 1.00 75.13 C ATOM 485 CG2 VAL A 35 14.379 -13.044 6.397 1.00 55.35 C ATOM 0 H VAL A 35 15.432 -9.344 5.395 1.00 24.32 H new ATOM 0 HA VAL A 35 13.119 -10.796 5.666 1.00 51.53 H new ATOM 0 HB VAL A 35 15.410 -11.675 5.132 1.00 5.52 H new ATOM 0 HG11 VAL A 35 16.912 -12.265 6.991 1.00 75.13 H new ATOM 0 HG12 VAL A 35 16.662 -10.506 6.877 1.00 75.13 H new ATOM 0 HG13 VAL A 35 15.818 -11.445 8.131 1.00 75.13 H new ATOM 0 HG21 VAL A 35 15.130 -13.827 6.293 1.00 55.35 H new ATOM 0 HG22 VAL A 35 13.963 -13.072 7.404 1.00 55.35 H new ATOM 0 HG23 VAL A 35 13.583 -13.206 5.670 1.00 55.35 H new ATOM 495 N GLY A 36 14.203 -9.618 8.514 1.00 44.21 N ATOM 496 CA GLY A 36 13.863 -9.455 9.915 1.00 12.21 C ATOM 497 C GLY A 36 12.428 -9.008 10.115 1.00 43.30 C ATOM 498 O GLY A 36 11.786 -9.377 11.099 1.00 4.13 O ATOM 0 H GLY A 36 14.973 -9.033 8.190 1.00 44.21 H new ATOM 0 HA2 GLY A 36 14.022 -10.399 10.437 1.00 12.21 H new ATOM 0 HA3 GLY A 36 14.534 -8.724 10.366 1.00 12.21 H new ATOM 502 N LEU A 37 11.924 -8.209 9.181 1.00 73.21 N ATOM 503 CA LEU A 37 10.556 -7.709 9.259 1.00 35.24 C ATOM 504 C LEU A 37 9.618 -8.552 8.400 1.00 12.55 C ATOM 505 O LEU A 37 8.418 -8.631 8.667 1.00 52.11 O ATOM 506 CB LEU A 37 10.500 -6.247 8.813 1.00 75.24 C ATOM 507 CG LEU A 37 9.490 -5.360 9.543 1.00 64.41 C ATOM 508 CD1 LEU A 37 10.200 -4.441 10.525 1.00 30.41 C ATOM 509 CD2 LEU A 37 8.673 -4.551 8.547 1.00 42.41 C ATOM 0 H LEU A 37 12.442 -7.894 8.361 1.00 73.21 H new ATOM 0 HA LEU A 37 10.229 -7.778 10.296 1.00 35.24 H new ATOM 0 HB2 LEU A 37 11.492 -5.812 8.937 1.00 75.24 H new ATOM 0 HB3 LEU A 37 10.272 -6.222 7.747 1.00 75.24 H new ATOM 0 HG LEU A 37 8.810 -6.001 10.104 1.00 64.41 H new ATOM 0 HD11 LEU A 37 9.466 -3.817 11.035 1.00 30.41 H new ATOM 0 HD12 LEU A 37 10.740 -5.040 11.258 1.00 30.41 H new ATOM 0 HD13 LEU A 37 10.903 -3.806 9.986 1.00 30.41 H new ATOM 0 HD21 LEU A 37 7.960 -3.926 9.084 1.00 42.41 H new ATOM 0 HD22 LEU A 37 9.338 -3.919 7.959 1.00 42.41 H new ATOM 0 HD23 LEU A 37 8.135 -5.228 7.883 1.00 42.41 H new ATOM 521 N LEU A 38 10.173 -9.181 7.370 1.00 13.34 N ATOM 522 CA LEU A 38 9.386 -10.020 6.473 1.00 65.01 C ATOM 523 C LEU A 38 8.994 -11.327 7.154 1.00 33.01 C ATOM 524 O LEU A 38 7.865 -11.796 7.017 1.00 54.34 O ATOM 525 CB LEU A 38 10.176 -10.314 5.196 1.00 73.20 C ATOM 526 CG LEU A 38 9.967 -11.699 4.582 1.00 53.12 C ATOM 527 CD1 LEU A 38 8.518 -11.881 4.157 1.00 31.42 C ATOM 528 CD2 LEU A 38 10.901 -11.904 3.398 1.00 2.04 C ATOM 0 H LEU A 38 11.164 -9.126 7.135 1.00 13.34 H new ATOM 0 HA LEU A 38 8.475 -9.480 6.214 1.00 65.01 H new ATOM 0 HB2 LEU A 38 9.914 -9.564 4.450 1.00 73.20 H new ATOM 0 HB3 LEU A 38 11.237 -10.191 5.412 1.00 73.20 H new ATOM 0 HG LEU A 38 10.200 -12.449 5.338 1.00 53.12 H new ATOM 0 HD11 LEU A 38 8.388 -12.872 3.722 1.00 31.42 H new ATOM 0 HD12 LEU A 38 7.868 -11.778 5.026 1.00 31.42 H new ATOM 0 HD13 LEU A 38 8.258 -11.124 3.418 1.00 31.42 H new ATOM 0 HD21 LEU A 38 10.738 -12.895 2.974 1.00 2.04 H new ATOM 0 HD22 LEU A 38 10.699 -11.147 2.640 1.00 2.04 H new ATOM 0 HD23 LEU A 38 11.935 -11.817 3.731 1.00 2.04 H new ATOM 540 N GLY A 39 9.934 -11.910 7.892 1.00 60.14 N ATOM 541 CA GLY A 39 9.666 -13.156 8.585 1.00 22.42 C ATOM 542 C GLY A 39 8.540 -13.029 9.592 1.00 22.11 C ATOM 543 O GLY A 39 7.819 -13.992 9.854 1.00 52.14 O ATOM 0 H GLY A 39 10.876 -11.541 8.022 1.00 60.14 H new ATOM 0 HA2 GLY A 39 9.413 -13.926 7.856 1.00 22.42 H new ATOM 0 HA3 GLY A 39 10.571 -13.486 9.096 1.00 22.42 H new ATOM 547 N LYS A 40 8.389 -11.838 10.161 1.00 41.22 N ATOM 548 CA LYS A 40 7.344 -11.587 11.146 1.00 55.45 C ATOM 549 C LYS A 40 5.991 -11.398 10.467 1.00 73.14 C ATOM 550 O LYS A 40 4.946 -11.685 11.052 1.00 75.43 O ATOM 551 CB LYS A 40 7.685 -10.349 11.978 1.00 1.21 C ATOM 552 CG LYS A 40 8.947 -10.504 12.809 1.00 33.25 C ATOM 553 CD LYS A 40 8.630 -10.965 14.223 1.00 42.55 C ATOM 554 CE LYS A 40 8.953 -12.438 14.414 1.00 24.42 C ATOM 555 NZ LYS A 40 9.402 -12.732 15.804 1.00 54.24 N ATOM 0 H LYS A 40 8.978 -11.031 9.957 1.00 41.22 H new ATOM 0 HA LYS A 40 7.284 -12.454 11.804 1.00 55.45 H new ATOM 0 HB2 LYS A 40 7.801 -9.494 11.312 1.00 1.21 H new ATOM 0 HB3 LYS A 40 6.849 -10.125 12.640 1.00 1.21 H new ATOM 0 HG2 LYS A 40 9.612 -11.223 12.331 1.00 33.25 H new ATOM 0 HG3 LYS A 40 9.479 -9.553 12.846 1.00 33.25 H new ATOM 0 HD2 LYS A 40 9.200 -10.371 14.937 1.00 42.55 H new ATOM 0 HD3 LYS A 40 7.575 -10.792 14.435 1.00 42.55 H new ATOM 0 HE2 LYS A 40 8.071 -13.036 14.183 1.00 24.42 H new ATOM 0 HE3 LYS A 40 9.732 -12.733 13.711 1.00 24.42 H new ATOM 0 HZ1 LYS A 40 9.613 -13.747 15.894 1.00 54.24 H new ATOM 0 HZ2 LYS A 40 10.258 -12.181 16.016 1.00 54.24 H new ATOM 0 HZ3 LYS A 40 8.649 -12.474 16.474 1.00 54.24 H new ATOM 569 N LEU A 41 6.017 -10.915 9.229 1.00 21.43 N ATOM 570 CA LEU A 41 4.792 -10.690 8.470 1.00 62.14 C ATOM 571 C LEU A 41 4.184 -12.012 8.013 1.00 73.21 C ATOM 572 O LEU A 41 2.968 -12.126 7.854 1.00 62.10 O ATOM 573 CB LEU A 41 5.077 -9.801 7.258 1.00 54.12 C ATOM 574 CG LEU A 41 4.938 -8.295 7.483 1.00 54.10 C ATOM 575 CD1 LEU A 41 5.939 -7.533 6.629 1.00 1.11 C ATOM 576 CD2 LEU A 41 3.518 -7.839 7.178 1.00 1.14 C ATOM 0 H LEU A 41 6.873 -10.672 8.730 1.00 21.43 H new ATOM 0 HA LEU A 41 4.077 -10.188 9.122 1.00 62.14 H new ATOM 0 HB2 LEU A 41 6.091 -10.005 6.914 1.00 54.12 H new ATOM 0 HB3 LEU A 41 4.402 -10.092 6.453 1.00 54.12 H new ATOM 0 HG LEU A 41 5.150 -8.083 8.531 1.00 54.10 H new ATOM 0 HD11 LEU A 41 5.825 -6.463 6.802 1.00 1.11 H new ATOM 0 HD12 LEU A 41 6.951 -7.838 6.895 1.00 1.11 H new ATOM 0 HD13 LEU A 41 5.759 -7.751 5.576 1.00 1.11 H new ATOM 0 HD21 LEU A 41 3.437 -6.765 7.344 1.00 1.14 H new ATOM 0 HD22 LEU A 41 3.279 -8.065 6.139 1.00 1.14 H new ATOM 0 HD23 LEU A 41 2.820 -8.360 7.833 1.00 1.14 H new ATOM 588 N PHE A 42 5.037 -13.010 7.806 1.00 53.15 N ATOM 589 CA PHE A 42 4.583 -14.325 7.368 1.00 22.15 C ATOM 590 C PHE A 42 5.026 -15.407 8.349 1.00 2.22 C ATOM 591 O PHE A 42 4.217 -15.944 9.105 1.00 65.34 O ATOM 592 CB PHE A 42 5.123 -14.636 5.971 1.00 41.21 C ATOM 593 CG PHE A 42 4.684 -13.651 4.926 1.00 54.32 C ATOM 594 CD1 PHE A 42 3.664 -13.966 4.043 1.00 74.22 C ATOM 595 CD2 PHE A 42 5.291 -12.409 4.826 1.00 31.20 C ATOM 596 CE1 PHE A 42 3.256 -13.062 3.080 1.00 4.21 C ATOM 597 CE2 PHE A 42 4.888 -11.501 3.866 1.00 52.33 C ATOM 598 CZ PHE A 42 3.870 -11.828 2.991 1.00 41.21 C ATOM 0 H PHE A 42 6.046 -12.933 7.934 1.00 53.15 H new ATOM 0 HA PHE A 42 3.494 -14.313 7.334 1.00 22.15 H new ATOM 0 HB2 PHE A 42 6.212 -14.654 6.007 1.00 41.21 H new ATOM 0 HB3 PHE A 42 4.797 -15.634 5.678 1.00 41.21 H new ATOM 0 HD1 PHE A 42 3.181 -14.930 4.108 1.00 74.22 H new ATOM 0 HD2 PHE A 42 6.088 -12.148 5.506 1.00 31.20 H new ATOM 0 HE1 PHE A 42 2.459 -13.320 2.399 1.00 4.21 H new ATOM 0 HE2 PHE A 42 5.368 -10.536 3.800 1.00 52.33 H new ATOM 0 HZ PHE A 42 3.555 -11.120 2.239 1.00 41.21 H new ATOM 608 N GLY A 43 6.318 -15.721 8.331 1.00 61.35 N ATOM 609 CA GLY A 43 6.847 -16.738 9.221 1.00 1.53 C ATOM 610 C GLY A 43 7.716 -17.747 8.498 1.00 44.10 C ATOM 611 O GLY A 43 7.209 -18.659 7.845 1.00 40.12 O ATOM 0 H GLY A 43 7.008 -15.289 7.716 1.00 61.35 H new ATOM 0 HA2 GLY A 43 7.430 -16.260 10.008 1.00 1.53 H new ATOM 0 HA3 GLY A 43 6.020 -17.257 9.706 1.00 1.53 H new ATOM 615 N PHE A 44 9.030 -17.584 8.613 1.00 42.24 N ATOM 616 CA PHE A 44 9.972 -18.487 7.962 1.00 44.21 C ATOM 617 C PHE A 44 10.593 -19.446 8.973 1.00 23.02 C ATOM 618 O PHE A 44 10.816 -20.619 8.675 1.00 54.20 O ATOM 619 CB PHE A 44 11.072 -17.690 7.257 1.00 54.43 C ATOM 620 CG PHE A 44 10.711 -17.280 5.857 1.00 1.45 C ATOM 621 CD1 PHE A 44 10.825 -18.176 4.808 1.00 71.44 C ATOM 622 CD2 PHE A 44 10.259 -15.997 5.592 1.00 32.01 C ATOM 623 CE1 PHE A 44 10.494 -17.803 3.519 1.00 54.53 C ATOM 624 CE2 PHE A 44 9.926 -15.618 4.306 1.00 53.45 C ATOM 625 CZ PHE A 44 10.044 -16.521 3.267 1.00 4.04 C ATOM 0 H PHE A 44 9.466 -16.835 9.151 1.00 42.24 H new ATOM 0 HA PHE A 44 9.424 -19.071 7.222 1.00 44.21 H new ATOM 0 HB2 PHE A 44 11.295 -16.798 7.842 1.00 54.43 H new ATOM 0 HB3 PHE A 44 11.982 -18.289 7.229 1.00 54.43 H new ATOM 0 HD1 PHE A 44 11.177 -19.179 4.999 1.00 71.44 H new ATOM 0 HD2 PHE A 44 10.166 -15.286 6.400 1.00 32.01 H new ATOM 0 HE1 PHE A 44 10.587 -18.512 2.710 1.00 54.53 H new ATOM 0 HE2 PHE A 44 9.573 -14.616 4.113 1.00 53.45 H new ATOM 0 HZ PHE A 44 9.785 -16.226 2.261 1.00 4.04 H new TER 635 PHE A 44