USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 290 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 ASP N :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 6 HIS : no HD1:sc= -0.93 K(o=-0.93,f=-0.046) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 14 HIS : no HD1:sc=-0.00327 X(o=-0.0033,f=-0.097) USER MOD Single : A 15 GLN : amide:sc= -0.182 X(o=-0.18,f=0.29) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 1.52 (180deg=0.758) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.616 K(o=-0.62,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0314 (180deg=-0.325) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 7.220 -0.645 -3.857 1.00 64.51 N ATOM 2 CA ASP A 1 6.110 -1.393 -3.278 1.00 51.14 C ATOM 3 C ASP A 1 4.830 -0.563 -3.293 1.00 70.04 C ATOM 4 O ASP A 1 4.187 -0.376 -2.261 1.00 25.44 O ATOM 5 CB ASP A 1 6.442 -1.815 -1.846 1.00 44.53 C ATOM 6 CG ASP A 1 6.896 -0.649 -0.990 1.00 51.40 C ATOM 7 OD1 ASP A 1 6.025 0.063 -0.448 1.00 12.01 O ATOM 8 OD2 ASP A 1 8.122 -0.447 -0.863 1.00 20.14 O ATOM 0 H1 ASP A 1 8.112 -1.147 -3.670 1.00 64.51 H new ATOM 0 H2 ASP A 1 7.081 -0.557 -4.884 1.00 64.51 H new ATOM 0 H3 ASP A 1 7.260 0.303 -3.430 1.00 64.51 H new ATOM 0 HA ASP A 1 5.951 -2.286 -3.883 1.00 51.14 H new ATOM 0 HB2 ASP A 1 5.564 -2.275 -1.393 1.00 44.53 H new ATOM 0 HB3 ASP A 1 7.224 -2.574 -1.866 1.00 44.53 H new ATOM 13 N ALA A 2 4.466 -0.067 -4.471 1.00 44.44 N ATOM 14 CA ALA A 2 3.263 0.742 -4.621 1.00 2.40 C ATOM 15 C ALA A 2 2.346 0.169 -5.696 1.00 21.11 C ATOM 16 O ALA A 2 2.739 -0.722 -6.448 1.00 32.41 O ATOM 17 CB ALA A 2 3.632 2.181 -4.952 1.00 22.11 C ATOM 0 H ALA A 2 4.987 -0.211 -5.336 1.00 44.44 H new ATOM 0 HA ALA A 2 2.724 0.725 -3.674 1.00 2.40 H new ATOM 0 HB1 ALA A 2 2.724 2.774 -5.061 1.00 22.11 H new ATOM 0 HB2 ALA A 2 4.241 2.595 -4.148 1.00 22.11 H new ATOM 0 HB3 ALA A 2 4.196 2.207 -5.884 1.00 22.11 H new ATOM 23 N GLU A 3 1.123 0.686 -5.761 1.00 61.24 N ATOM 24 CA GLU A 3 0.150 0.223 -6.744 1.00 64.40 C ATOM 25 C GLU A 3 -0.092 1.285 -7.812 1.00 41.13 C ATOM 26 O GLU A 3 -0.095 2.482 -7.524 1.00 5.00 O ATOM 27 CB GLU A 3 -1.169 -0.137 -6.058 1.00 52.20 C ATOM 28 CG GLU A 3 -1.931 1.069 -5.534 1.00 20.10 C ATOM 29 CD GLU A 3 -2.791 0.737 -4.330 1.00 54.32 C ATOM 30 OE1 GLU A 3 -3.670 -0.141 -4.454 1.00 73.41 O ATOM 31 OE2 GLU A 3 -2.587 1.356 -3.265 1.00 45.02 O ATOM 0 H GLU A 3 0.783 1.425 -5.145 1.00 61.24 H new ATOM 0 HA GLU A 3 0.554 -0.667 -7.227 1.00 64.40 H new ATOM 0 HB2 GLU A 3 -1.800 -0.677 -6.764 1.00 52.20 H new ATOM 0 HB3 GLU A 3 -0.965 -0.815 -5.230 1.00 52.20 H new ATOM 0 HG2 GLU A 3 -1.223 1.853 -5.265 1.00 20.10 H new ATOM 0 HG3 GLU A 3 -2.562 1.468 -6.328 1.00 20.10 H new ATOM 38 N PHE A 4 -0.295 0.838 -9.047 1.00 43.43 N ATOM 39 CA PHE A 4 -0.536 1.750 -10.160 1.00 34.32 C ATOM 40 C PHE A 4 -1.770 1.326 -10.951 1.00 52.35 C ATOM 41 O PHE A 4 -2.522 0.448 -10.528 1.00 24.04 O ATOM 42 CB PHE A 4 0.684 1.797 -11.082 1.00 54.31 C ATOM 43 CG PHE A 4 0.858 0.557 -11.911 1.00 35.34 C ATOM 44 CD1 PHE A 4 1.169 -0.654 -11.312 1.00 41.35 C ATOM 45 CD2 PHE A 4 0.709 0.601 -13.287 1.00 60.34 C ATOM 46 CE1 PHE A 4 1.330 -1.797 -12.073 1.00 4.52 C ATOM 47 CE2 PHE A 4 0.869 -0.539 -14.053 1.00 33.10 C ATOM 48 CZ PHE A 4 1.179 -1.739 -13.444 1.00 71.45 C ATOM 0 H PHE A 4 -0.297 -0.149 -9.303 1.00 43.43 H new ATOM 0 HA PHE A 4 -0.712 2.745 -9.751 1.00 34.32 H new ATOM 0 HB2 PHE A 4 0.595 2.658 -11.745 1.00 54.31 H new ATOM 0 HB3 PHE A 4 1.579 1.950 -10.479 1.00 54.31 H new ATOM 0 HD1 PHE A 4 1.287 -0.705 -10.240 1.00 41.35 H new ATOM 0 HD2 PHE A 4 0.465 1.537 -13.768 1.00 60.34 H new ATOM 0 HE1 PHE A 4 1.574 -2.734 -11.595 1.00 4.52 H new ATOM 0 HE2 PHE A 4 0.752 -0.491 -15.126 1.00 33.10 H new ATOM 0 HZ PHE A 4 1.303 -2.631 -14.040 1.00 71.45 H new ATOM 58 N ARG A 5 -1.972 1.958 -12.103 1.00 73.23 N ATOM 59 CA ARG A 5 -3.115 1.649 -12.954 1.00 33.41 C ATOM 60 C ARG A 5 -2.707 0.727 -14.100 1.00 1.44 C ATOM 61 O ARG A 5 -1.734 0.992 -14.807 1.00 0.24 O ATOM 62 CB ARG A 5 -3.725 2.936 -13.513 1.00 32.54 C ATOM 63 CG ARG A 5 -2.709 3.857 -14.167 1.00 61.01 C ATOM 64 CD ARG A 5 -2.207 4.913 -13.195 1.00 13.22 C ATOM 65 NE ARG A 5 -3.063 6.097 -13.183 1.00 21.30 N ATOM 66 CZ ARG A 5 -3.006 7.035 -12.245 1.00 11.23 C ATOM 67 NH1 ARG A 5 -2.139 6.929 -11.248 1.00 5.02 N ATOM 68 NH2 ARG A 5 -3.818 8.083 -12.303 1.00 10.22 N ATOM 0 H ARG A 5 -1.359 2.687 -12.468 1.00 73.23 H new ATOM 0 HA ARG A 5 -3.860 1.136 -12.346 1.00 33.41 H new ATOM 0 HB2 ARG A 5 -4.491 2.677 -14.244 1.00 32.54 H new ATOM 0 HB3 ARG A 5 -4.223 3.473 -12.705 1.00 32.54 H new ATOM 0 HG2 ARG A 5 -1.867 3.270 -14.534 1.00 61.01 H new ATOM 0 HG3 ARG A 5 -3.160 4.343 -15.032 1.00 61.01 H new ATOM 0 HD2 ARG A 5 -2.160 4.489 -12.192 1.00 13.22 H new ATOM 0 HD3 ARG A 5 -1.192 5.202 -13.467 1.00 13.22 H new ATOM 0 HE ARG A 5 -3.741 6.209 -13.936 1.00 21.30 H new ATOM 0 HH11 ARG A 5 -1.513 6.125 -11.200 1.00 5.02 H new ATOM 0 HH12 ARG A 5 -2.098 7.651 -10.529 1.00 5.02 H new ATOM 0 HH21 ARG A 5 -4.487 8.168 -13.069 1.00 10.22 H new ATOM 0 HH22 ARG A 5 -3.774 8.803 -11.582 1.00 10.22 H new ATOM 82 N HIS A 6 -3.456 -0.356 -14.277 1.00 74.01 N ATOM 83 CA HIS A 6 -3.173 -1.317 -15.337 1.00 45.11 C ATOM 84 C HIS A 6 -4.360 -1.445 -16.287 1.00 1.14 C ATOM 85 O HIS A 6 -4.900 -2.535 -16.477 1.00 40.22 O ATOM 86 CB HIS A 6 -2.833 -2.683 -14.739 1.00 53.50 C ATOM 87 CG HIS A 6 -3.797 -3.130 -13.683 1.00 63.13 C ATOM 88 ND1 HIS A 6 -3.418 -3.874 -12.586 1.00 13.25 N ATOM 89 CD2 HIS A 6 -5.130 -2.934 -13.561 1.00 54.50 C ATOM 90 CE1 HIS A 6 -4.478 -4.117 -11.835 1.00 4.24 C ATOM 91 NE2 HIS A 6 -5.529 -3.557 -12.404 1.00 55.42 N ATOM 0 H HIS A 6 -4.264 -0.590 -13.700 1.00 74.01 H new ATOM 0 HA HIS A 6 -2.316 -0.953 -15.903 1.00 45.11 H new ATOM 0 HB2 HIS A 6 -2.811 -3.425 -15.537 1.00 53.50 H new ATOM 0 HB3 HIS A 6 -1.831 -2.645 -14.312 1.00 53.50 H new ATOM 0 HD2 HIS A 6 -5.763 -2.389 -14.246 1.00 54.50 H new ATOM 0 HE1 HIS A 6 -4.483 -4.678 -10.912 1.00 4.24 H new ATOM 0 HE2 HIS A 6 -6.483 -3.583 -12.043 1.00 55.42 H new ATOM 99 N ASP A 7 -4.761 -0.325 -16.878 1.00 72.45 N ATOM 100 CA ASP A 7 -5.884 -0.312 -17.808 1.00 75.44 C ATOM 101 C ASP A 7 -5.565 0.538 -19.034 1.00 73.21 C ATOM 102 O ASP A 7 -4.564 1.253 -19.062 1.00 11.40 O ATOM 103 CB ASP A 7 -7.141 0.219 -17.117 1.00 3.24 C ATOM 104 CG ASP A 7 -8.415 -0.304 -17.749 1.00 53.34 C ATOM 105 OD1 ASP A 7 -8.671 -1.522 -17.648 1.00 13.52 O ATOM 106 OD2 ASP A 7 -9.156 0.505 -18.347 1.00 35.20 O ATOM 0 H ASP A 7 -4.325 0.585 -16.730 1.00 72.45 H new ATOM 0 HA ASP A 7 -6.064 -1.336 -18.135 1.00 75.44 H new ATOM 0 HB2 ASP A 7 -7.119 -0.062 -16.064 1.00 3.24 H new ATOM 0 HB3 ASP A 7 -7.140 1.308 -17.156 1.00 3.24 H new ATOM 111 N SER A 8 -6.423 0.453 -20.046 1.00 42.23 N ATOM 112 CA SER A 8 -6.230 1.211 -21.277 1.00 63.11 C ATOM 113 C SER A 8 -6.492 2.696 -21.047 1.00 40.24 C ATOM 114 O SER A 8 -7.159 3.079 -20.087 1.00 41.22 O ATOM 115 CB SER A 8 -7.153 0.682 -22.377 1.00 0.45 C ATOM 116 OG SER A 8 -8.506 0.696 -21.956 1.00 72.02 O ATOM 0 H SER A 8 -7.258 -0.133 -20.038 1.00 42.23 H new ATOM 0 HA SER A 8 -5.194 1.088 -21.592 1.00 63.11 H new ATOM 0 HB2 SER A 8 -7.041 1.291 -23.274 1.00 0.45 H new ATOM 0 HB3 SER A 8 -6.862 -0.334 -22.643 1.00 0.45 H new ATOM 0 HG SER A 8 -9.076 0.355 -22.676 1.00 72.02 H new ATOM 122 N GLY A 9 -5.961 3.529 -21.938 1.00 12.24 N ATOM 123 CA GLY A 9 -6.148 4.963 -21.815 1.00 40.23 C ATOM 124 C GLY A 9 -6.206 5.657 -23.162 1.00 15.24 C ATOM 125 O GLY A 9 -7.148 6.397 -23.446 1.00 15.31 O ATOM 0 H GLY A 9 -5.405 3.236 -22.742 1.00 12.24 H new ATOM 0 HA2 GLY A 9 -7.070 5.161 -21.268 1.00 40.23 H new ATOM 0 HA3 GLY A 9 -5.332 5.384 -21.228 1.00 40.23 H new ATOM 129 N TYR A 10 -5.197 5.420 -23.992 1.00 32.21 N ATOM 130 CA TYR A 10 -5.135 6.031 -25.314 1.00 54.03 C ATOM 131 C TYR A 10 -4.269 5.202 -26.258 1.00 11.13 C ATOM 132 O TYR A 10 -3.607 4.254 -25.837 1.00 40.10 O ATOM 133 CB TYR A 10 -4.584 7.454 -25.216 1.00 51.40 C ATOM 134 CG TYR A 10 -5.080 8.373 -26.310 1.00 62.42 C ATOM 135 CD1 TYR A 10 -6.423 8.716 -26.400 1.00 73.35 C ATOM 136 CD2 TYR A 10 -4.205 8.896 -27.254 1.00 53.33 C ATOM 137 CE1 TYR A 10 -6.881 9.554 -27.399 1.00 30.31 C ATOM 138 CE2 TYR A 10 -4.654 9.736 -28.255 1.00 42.21 C ATOM 139 CZ TYR A 10 -5.992 10.062 -28.323 1.00 74.34 C ATOM 140 OH TYR A 10 -6.443 10.897 -29.320 1.00 34.13 O ATOM 0 H TYR A 10 -4.410 4.809 -23.773 1.00 32.21 H new ATOM 0 HA TYR A 10 -6.147 6.067 -25.717 1.00 54.03 H new ATOM 0 HB2 TYR A 10 -4.857 7.875 -24.248 1.00 51.40 H new ATOM 0 HB3 TYR A 10 -3.495 7.416 -25.251 1.00 51.40 H new ATOM 0 HD1 TYR A 10 -7.121 8.321 -25.677 1.00 73.35 H new ATOM 0 HD2 TYR A 10 -3.157 8.642 -27.205 1.00 53.33 H new ATOM 0 HE1 TYR A 10 -7.929 9.810 -27.456 1.00 30.31 H new ATOM 0 HE2 TYR A 10 -3.961 10.135 -28.980 1.00 42.21 H new ATOM 0 HH TYR A 10 -5.690 11.167 -29.886 1.00 34.13 H new ATOM 150 N GLU A 11 -4.280 5.568 -27.536 1.00 3.24 N ATOM 151 CA GLU A 11 -3.495 4.859 -28.539 1.00 72.43 C ATOM 152 C GLU A 11 -2.032 5.287 -28.489 1.00 5.32 C ATOM 153 O GLU A 11 -1.169 4.665 -29.109 1.00 20.24 O ATOM 154 CB GLU A 11 -4.064 5.112 -29.937 1.00 15.53 C ATOM 155 CG GLU A 11 -4.219 6.586 -30.273 1.00 4.33 C ATOM 156 CD GLU A 11 -4.067 6.866 -31.755 1.00 63.43 C ATOM 157 OE1 GLU A 11 -3.271 6.163 -32.412 1.00 65.53 O ATOM 158 OE2 GLU A 11 -4.743 7.787 -32.258 1.00 71.35 O ATOM 0 H GLU A 11 -4.823 6.350 -27.901 1.00 3.24 H new ATOM 0 HA GLU A 11 -3.551 3.793 -28.319 1.00 72.43 H new ATOM 0 HB2 GLU A 11 -3.412 4.646 -30.676 1.00 15.53 H new ATOM 0 HB3 GLU A 11 -5.036 4.625 -30.018 1.00 15.53 H new ATOM 0 HG2 GLU A 11 -5.199 6.929 -29.941 1.00 4.33 H new ATOM 0 HG3 GLU A 11 -3.476 7.161 -29.720 1.00 4.33 H new ATOM 165 N VAL A 12 -1.759 6.356 -27.746 1.00 71.33 N ATOM 166 CA VAL A 12 -0.401 6.868 -27.614 1.00 3.33 C ATOM 167 C VAL A 12 0.568 5.761 -27.212 1.00 53.34 C ATOM 168 O VAL A 12 0.482 5.215 -26.112 1.00 75.22 O ATOM 169 CB VAL A 12 -0.328 8.001 -26.573 1.00 5.40 C ATOM 170 CG1 VAL A 12 -0.920 7.548 -25.247 1.00 41.23 C ATOM 171 CG2 VAL A 12 1.110 8.467 -26.393 1.00 35.11 C ATOM 0 H VAL A 12 -2.461 6.883 -27.227 1.00 71.33 H new ATOM 0 HA VAL A 12 -0.115 7.261 -28.590 1.00 3.33 H new ATOM 0 HB VAL A 12 -0.916 8.843 -26.937 1.00 5.40 H new ATOM 0 HG11 VAL A 12 -0.859 8.362 -24.524 1.00 41.23 H new ATOM 0 HG12 VAL A 12 -1.963 7.268 -25.391 1.00 41.23 H new ATOM 0 HG13 VAL A 12 -0.362 6.689 -24.874 1.00 41.23 H new ATOM 0 HG21 VAL A 12 1.143 9.268 -25.654 1.00 35.11 H new ATOM 0 HG22 VAL A 12 1.723 7.633 -26.052 1.00 35.11 H new ATOM 0 HG23 VAL A 12 1.495 8.835 -27.344 1.00 35.11 H new ATOM 181 N HIS A 13 1.491 5.435 -28.112 1.00 15.01 N ATOM 182 CA HIS A 13 2.477 4.393 -27.851 1.00 43.03 C ATOM 183 C HIS A 13 3.553 4.892 -26.891 1.00 63.43 C ATOM 184 O HIS A 13 4.256 4.098 -26.264 1.00 41.32 O ATOM 185 CB HIS A 13 3.119 3.930 -29.160 1.00 3.54 C ATOM 186 CG HIS A 13 2.338 2.867 -29.867 1.00 74.31 C ATOM 187 ND1 HIS A 13 2.866 2.090 -30.876 1.00 23.50 N ATOM 188 CD2 HIS A 13 1.060 2.452 -29.705 1.00 35.40 C ATOM 189 CE1 HIS A 13 1.947 1.244 -31.305 1.00 72.31 C ATOM 190 NE2 HIS A 13 0.841 1.443 -30.610 1.00 61.54 N ATOM 0 H HIS A 13 1.576 5.877 -29.027 1.00 15.01 H new ATOM 0 HA HIS A 13 1.965 3.549 -27.388 1.00 43.03 H new ATOM 0 HB2 HIS A 13 3.232 4.788 -29.823 1.00 3.54 H new ATOM 0 HB3 HIS A 13 4.121 3.555 -28.951 1.00 3.54 H new ATOM 0 HD2 HIS A 13 0.345 2.842 -28.996 1.00 35.40 H new ATOM 0 HE1 HIS A 13 2.077 0.514 -32.090 1.00 72.31 H new ATOM 0 HE2 HIS A 13 -0.033 0.930 -30.727 1.00 61.54 H new ATOM 198 N HIS A 14 3.677 6.211 -26.782 1.00 61.41 N ATOM 199 CA HIS A 14 4.668 6.815 -25.899 1.00 31.25 C ATOM 200 C HIS A 14 4.400 6.439 -24.444 1.00 51.22 C ATOM 201 O HIS A 14 5.274 6.574 -23.588 1.00 72.23 O ATOM 202 CB HIS A 14 4.661 8.336 -26.054 1.00 72.22 C ATOM 203 CG HIS A 14 5.098 8.801 -27.409 1.00 12.30 C ATOM 204 ND1 HIS A 14 5.913 8.056 -28.234 1.00 71.32 N ATOM 205 CD2 HIS A 14 4.827 9.944 -28.083 1.00 31.34 C ATOM 206 CE1 HIS A 14 6.126 8.720 -29.356 1.00 50.10 C ATOM 207 NE2 HIS A 14 5.478 9.869 -29.290 1.00 35.25 N ATOM 0 H HIS A 14 3.104 6.882 -27.294 1.00 61.41 H new ATOM 0 HA HIS A 14 5.650 6.433 -26.180 1.00 31.25 H new ATOM 0 HB2 HIS A 14 3.656 8.709 -25.858 1.00 72.22 H new ATOM 0 HB3 HIS A 14 5.316 8.773 -25.300 1.00 72.22 H new ATOM 0 HD2 HIS A 14 4.213 10.762 -27.736 1.00 31.34 H new ATOM 0 HE1 HIS A 14 6.728 8.381 -30.186 1.00 50.10 H new ATOM 0 HE2 HIS A 14 5.463 10.584 -30.017 1.00 35.25 H new ATOM 215 N GLN A 15 3.187 5.969 -24.173 1.00 74.05 N ATOM 216 CA GLN A 15 2.804 5.576 -22.822 1.00 62.25 C ATOM 217 C GLN A 15 3.431 4.237 -22.447 1.00 71.02 C ATOM 218 O GLN A 15 3.325 3.788 -21.306 1.00 31.41 O ATOM 219 CB GLN A 15 1.281 5.490 -22.705 1.00 44.23 C ATOM 220 CG GLN A 15 0.714 4.142 -23.119 1.00 22.23 C ATOM 221 CD GLN A 15 -0.754 4.215 -23.489 1.00 41.02 C ATOM 222 OE1 GLN A 15 -1.157 3.775 -24.566 1.00 41.04 O ATOM 223 NE2 GLN A 15 -1.563 4.773 -22.596 1.00 70.31 N ATOM 0 H GLN A 15 2.452 5.851 -24.871 1.00 74.05 H new ATOM 0 HA GLN A 15 3.172 6.335 -22.132 1.00 62.25 H new ATOM 0 HB2 GLN A 15 0.992 5.695 -21.674 1.00 44.23 H new ATOM 0 HB3 GLN A 15 0.833 6.268 -23.323 1.00 44.23 H new ATOM 0 HG2 GLN A 15 1.280 3.759 -23.968 1.00 22.23 H new ATOM 0 HG3 GLN A 15 0.844 3.431 -22.303 1.00 22.23 H new ATOM 0 HE21 GLN A 15 -1.186 5.125 -21.716 1.00 70.31 H new ATOM 0 HE22 GLN A 15 -2.561 4.850 -22.790 1.00 70.31 H new ATOM 232 N LYS A 16 4.084 3.603 -23.415 1.00 42.12 N ATOM 233 CA LYS A 16 4.729 2.316 -23.188 1.00 25.44 C ATOM 234 C LYS A 16 5.646 2.374 -21.969 1.00 75.13 C ATOM 235 O LYS A 16 5.918 1.354 -21.335 1.00 61.43 O ATOM 236 CB LYS A 16 5.531 1.898 -24.422 1.00 44.44 C ATOM 237 CG LYS A 16 5.871 0.418 -24.456 1.00 12.32 C ATOM 238 CD LYS A 16 7.186 0.132 -23.751 1.00 30.32 C ATOM 239 CE LYS A 16 7.138 -1.188 -22.997 1.00 20.34 C ATOM 240 NZ LYS A 16 8.416 -1.468 -22.286 1.00 4.32 N ATOM 0 H LYS A 16 4.180 3.960 -24.365 1.00 42.12 H new ATOM 0 HA LYS A 16 3.950 1.577 -23.001 1.00 25.44 H new ATOM 0 HB2 LYS A 16 4.963 2.152 -25.317 1.00 44.44 H new ATOM 0 HB3 LYS A 16 6.455 2.475 -24.457 1.00 44.44 H new ATOM 0 HG2 LYS A 16 5.071 -0.151 -23.982 1.00 12.32 H new ATOM 0 HG3 LYS A 16 5.931 0.081 -25.491 1.00 12.32 H new ATOM 0 HD2 LYS A 16 7.994 0.105 -24.482 1.00 30.32 H new ATOM 0 HD3 LYS A 16 7.411 0.941 -23.056 1.00 30.32 H new ATOM 0 HE2 LYS A 16 6.320 -1.165 -22.277 1.00 20.34 H new ATOM 0 HE3 LYS A 16 6.926 -1.998 -23.695 1.00 20.34 H new ATOM 0 HZ1 LYS A 16 8.489 -2.487 -22.091 1.00 4.32 H new ATOM 0 HZ2 LYS A 16 9.216 -1.171 -22.880 1.00 4.32 H new ATOM 0 HZ3 LYS A 16 8.437 -0.942 -21.389 1.00 4.32 H new ATOM 254 N LEU A 17 6.117 3.573 -21.646 1.00 52.22 N ATOM 255 CA LEU A 17 7.001 3.765 -20.502 1.00 64.22 C ATOM 256 C LEU A 17 6.349 3.260 -19.219 1.00 64.31 C ATOM 257 O LEU A 17 7.031 2.976 -18.234 1.00 11.53 O ATOM 258 CB LEU A 17 7.365 5.243 -20.355 1.00 54.53 C ATOM 259 CG LEU A 17 7.771 5.699 -18.953 1.00 64.34 C ATOM 260 CD1 LEU A 17 8.777 6.837 -19.033 1.00 15.25 C ATOM 261 CD2 LEU A 17 6.547 6.120 -18.153 1.00 44.03 C ATOM 0 H LEU A 17 5.902 4.427 -22.160 1.00 52.22 H new ATOM 0 HA LEU A 17 7.910 3.189 -20.677 1.00 64.22 H new ATOM 0 HB2 LEU A 17 8.185 5.464 -21.039 1.00 54.53 H new ATOM 0 HB3 LEU A 17 6.512 5.840 -20.677 1.00 54.53 H new ATOM 0 HG LEU A 17 8.243 4.860 -18.441 1.00 64.34 H new ATOM 0 HD11 LEU A 17 9.055 7.149 -18.026 1.00 15.25 H new ATOM 0 HD12 LEU A 17 9.666 6.500 -19.567 1.00 15.25 H new ATOM 0 HD13 LEU A 17 8.333 7.679 -19.564 1.00 15.25 H new ATOM 0 HD21 LEU A 17 6.855 6.441 -17.158 1.00 44.03 H new ATOM 0 HD22 LEU A 17 6.046 6.944 -18.661 1.00 44.03 H new ATOM 0 HD23 LEU A 17 5.862 5.277 -18.066 1.00 44.03 H new ATOM 273 N VAL A 18 5.025 3.147 -19.239 1.00 0.21 N ATOM 274 CA VAL A 18 4.281 2.673 -18.078 1.00 74.25 C ATOM 275 C VAL A 18 4.787 1.310 -17.620 1.00 60.23 C ATOM 276 O VAL A 18 4.574 0.909 -16.476 1.00 21.02 O ATOM 277 CB VAL A 18 2.774 2.573 -18.381 1.00 14.33 C ATOM 278 CG1 VAL A 18 2.524 1.629 -19.547 1.00 11.02 C ATOM 279 CG2 VAL A 18 2.011 2.120 -17.145 1.00 5.35 C ATOM 0 H VAL A 18 4.445 3.377 -20.046 1.00 0.21 H new ATOM 0 HA VAL A 18 4.437 3.401 -17.282 1.00 74.25 H new ATOM 0 HB VAL A 18 2.412 3.562 -18.662 1.00 14.33 H new ATOM 0 HG11 VAL A 18 1.454 1.572 -19.746 1.00 11.02 H new ATOM 0 HG12 VAL A 18 3.038 2.001 -20.433 1.00 11.02 H new ATOM 0 HG13 VAL A 18 2.901 0.637 -19.299 1.00 11.02 H new ATOM 0 HG21 VAL A 18 0.948 2.055 -17.377 1.00 5.35 H new ATOM 0 HG22 VAL A 18 2.375 1.141 -16.831 1.00 5.35 H new ATOM 0 HG23 VAL A 18 2.163 2.839 -16.340 1.00 5.35 H new ATOM 289 N PHE A 19 5.459 0.601 -18.521 1.00 41.04 N ATOM 290 CA PHE A 19 5.996 -0.718 -18.210 1.00 63.52 C ATOM 291 C PHE A 19 6.785 -0.691 -16.904 1.00 51.52 C ATOM 292 O PHE A 19 6.852 -1.687 -16.185 1.00 33.43 O ATOM 293 CB PHE A 19 6.892 -1.209 -19.350 1.00 30.55 C ATOM 294 CG PHE A 19 8.286 -0.654 -19.298 1.00 43.40 C ATOM 295 CD1 PHE A 19 8.531 0.670 -19.627 1.00 63.21 C ATOM 296 CD2 PHE A 19 9.352 -1.455 -18.921 1.00 42.31 C ATOM 297 CE1 PHE A 19 9.813 1.185 -19.580 1.00 62.35 C ATOM 298 CE2 PHE A 19 10.636 -0.945 -18.872 1.00 60.31 C ATOM 299 CZ PHE A 19 10.867 0.376 -19.203 1.00 60.44 C ATOM 0 H PHE A 19 5.645 0.918 -19.473 1.00 41.04 H new ATOM 0 HA PHE A 19 5.158 -1.405 -18.093 1.00 63.52 H new ATOM 0 HB2 PHE A 19 6.941 -2.297 -19.319 1.00 30.55 H new ATOM 0 HB3 PHE A 19 6.437 -0.937 -20.302 1.00 30.55 H new ATOM 0 HD1 PHE A 19 7.711 1.307 -19.924 1.00 63.21 H new ATOM 0 HD2 PHE A 19 9.178 -2.489 -18.663 1.00 42.31 H new ATOM 0 HE1 PHE A 19 9.990 2.219 -19.838 1.00 62.35 H new ATOM 0 HE2 PHE A 19 11.458 -1.579 -18.575 1.00 60.31 H new ATOM 0 HZ PHE A 19 11.870 0.775 -19.167 1.00 60.44 H new ATOM 309 N PHE A 20 7.382 0.459 -16.605 1.00 34.52 N ATOM 310 CA PHE A 20 8.167 0.617 -15.387 1.00 4.33 C ATOM 311 C PHE A 20 7.373 0.165 -14.165 1.00 4.45 C ATOM 312 O PHE A 20 7.943 -0.298 -13.177 1.00 45.32 O ATOM 313 CB PHE A 20 8.598 2.076 -15.219 1.00 32.14 C ATOM 314 CG PHE A 20 7.564 2.932 -14.545 1.00 0.15 C ATOM 315 CD1 PHE A 20 6.350 3.190 -15.161 1.00 31.54 C ATOM 316 CD2 PHE A 20 7.806 3.479 -13.295 1.00 21.13 C ATOM 317 CE1 PHE A 20 5.397 3.978 -14.543 1.00 24.32 C ATOM 318 CE2 PHE A 20 6.857 4.268 -12.672 1.00 21.42 C ATOM 319 CZ PHE A 20 5.651 4.516 -13.296 1.00 52.34 C ATOM 0 H PHE A 20 7.337 1.294 -17.189 1.00 34.52 H new ATOM 0 HA PHE A 20 9.055 -0.010 -15.473 1.00 4.33 H new ATOM 0 HB2 PHE A 20 9.520 2.110 -14.639 1.00 32.14 H new ATOM 0 HB3 PHE A 20 8.823 2.496 -16.200 1.00 32.14 H new ATOM 0 HD1 PHE A 20 6.146 2.771 -16.135 1.00 31.54 H new ATOM 0 HD2 PHE A 20 8.747 3.287 -12.802 1.00 21.13 H new ATOM 0 HE1 PHE A 20 4.455 4.173 -15.034 1.00 24.32 H new ATOM 0 HE2 PHE A 20 7.059 4.690 -11.698 1.00 21.42 H new ATOM 0 HZ PHE A 20 4.907 5.130 -12.810 1.00 52.34 H new ATOM 329 N ALA A 21 6.054 0.305 -14.239 1.00 72.51 N ATOM 330 CA ALA A 21 5.181 -0.090 -13.141 1.00 33.13 C ATOM 331 C ALA A 21 4.673 -1.516 -13.328 1.00 4.03 C ATOM 332 O ALA A 21 4.329 -2.193 -12.360 1.00 32.20 O ATOM 333 CB ALA A 21 4.012 0.877 -13.022 1.00 31.30 C ATOM 0 H ALA A 21 5.566 0.689 -15.048 1.00 72.51 H new ATOM 0 HA ALA A 21 5.761 -0.057 -12.219 1.00 33.13 H new ATOM 0 HB1 ALA A 21 3.368 0.570 -12.198 1.00 31.30 H new ATOM 0 HB2 ALA A 21 4.389 1.882 -12.833 1.00 31.30 H new ATOM 0 HB3 ALA A 21 3.440 0.873 -13.950 1.00 31.30 H new ATOM 339 N GLU A 22 4.630 -1.964 -14.578 1.00 72.54 N ATOM 340 CA GLU A 22 4.163 -3.310 -14.891 1.00 14.01 C ATOM 341 C GLU A 22 5.231 -4.348 -14.560 1.00 4.43 C ATOM 342 O GLU A 22 4.922 -5.506 -14.279 1.00 15.54 O ATOM 343 CB GLU A 22 3.779 -3.410 -16.369 1.00 23.42 C ATOM 344 CG GLU A 22 2.743 -4.483 -16.657 1.00 72.32 C ATOM 345 CD GLU A 22 2.104 -4.325 -18.023 1.00 52.02 C ATOM 346 OE1 GLU A 22 2.222 -3.230 -18.611 1.00 10.42 O ATOM 347 OE2 GLU A 22 1.485 -5.298 -18.505 1.00 5.44 O ATOM 0 H GLU A 22 4.912 -1.416 -15.390 1.00 72.54 H new ATOM 0 HA GLU A 22 3.283 -3.512 -14.280 1.00 14.01 H new ATOM 0 HB2 GLU A 22 3.394 -2.446 -16.702 1.00 23.42 H new ATOM 0 HB3 GLU A 22 4.675 -3.615 -16.955 1.00 23.42 H new ATOM 0 HG2 GLU A 22 3.214 -5.464 -16.591 1.00 72.32 H new ATOM 0 HG3 GLU A 22 1.968 -4.449 -15.891 1.00 72.32 H new ATOM 354 N ASP A 23 6.490 -3.924 -14.596 1.00 31.02 N ATOM 355 CA ASP A 23 7.605 -4.815 -14.299 1.00 64.33 C ATOM 356 C ASP A 23 8.205 -4.499 -12.933 1.00 21.23 C ATOM 357 O ASP A 23 9.425 -4.486 -12.766 1.00 52.33 O ATOM 358 CB ASP A 23 8.680 -4.699 -15.381 1.00 44.10 C ATOM 359 CG ASP A 23 9.462 -5.985 -15.561 1.00 23.20 C ATOM 360 OD1 ASP A 23 8.883 -6.964 -16.077 1.00 2.15 O ATOM 361 OD2 ASP A 23 10.653 -6.014 -15.185 1.00 42.44 O ATOM 0 H ASP A 23 6.763 -2.969 -14.828 1.00 31.02 H new ATOM 0 HA ASP A 23 7.226 -5.837 -14.281 1.00 64.33 H new ATOM 0 HB2 ASP A 23 8.211 -4.427 -16.327 1.00 44.10 H new ATOM 0 HB3 ASP A 23 9.367 -3.893 -15.122 1.00 44.10 H new ATOM 366 N VAL A 24 7.339 -4.244 -11.957 1.00 23.23 N ATOM 367 CA VAL A 24 7.783 -3.928 -10.604 1.00 60.04 C ATOM 368 C VAL A 24 8.177 -5.191 -9.846 1.00 13.41 C ATOM 369 O VAL A 24 8.987 -5.145 -8.921 1.00 50.33 O ATOM 370 CB VAL A 24 6.689 -3.187 -9.813 1.00 75.33 C ATOM 371 CG1 VAL A 24 6.450 -1.804 -10.399 1.00 2.24 C ATOM 372 CG2 VAL A 24 5.401 -3.998 -9.799 1.00 24.04 C ATOM 0 H VAL A 24 6.326 -4.250 -12.078 1.00 23.23 H new ATOM 0 HA VAL A 24 8.654 -3.279 -10.700 1.00 60.04 H new ATOM 0 HB VAL A 24 7.028 -3.066 -8.784 1.00 75.33 H new ATOM 0 HG11 VAL A 24 5.674 -1.296 -9.827 1.00 2.24 H new ATOM 0 HG12 VAL A 24 7.372 -1.225 -10.353 1.00 2.24 H new ATOM 0 HG13 VAL A 24 6.132 -1.899 -11.437 1.00 2.24 H new ATOM 0 HG21 VAL A 24 4.638 -3.460 -9.236 1.00 24.04 H new ATOM 0 HG22 VAL A 24 5.056 -4.151 -10.822 1.00 24.04 H new ATOM 0 HG23 VAL A 24 5.585 -4.964 -9.329 1.00 24.04 H new ATOM 382 N GLY A 25 7.597 -6.319 -10.244 1.00 50.14 N ATOM 383 CA GLY A 25 7.900 -7.579 -9.592 1.00 30.22 C ATOM 384 C GLY A 25 8.261 -8.671 -10.579 1.00 71.31 C ATOM 385 O GLY A 25 7.586 -8.849 -11.593 1.00 12.21 O ATOM 0 H GLY A 25 6.923 -6.382 -11.007 1.00 50.14 H new ATOM 0 HA2 GLY A 25 8.727 -7.435 -8.896 1.00 30.22 H new ATOM 0 HA3 GLY A 25 7.039 -7.896 -9.003 1.00 30.22 H new ATOM 389 N SER A 26 9.330 -9.404 -10.284 1.00 32.22 N ATOM 390 CA SER A 26 9.783 -10.481 -11.156 1.00 72.32 C ATOM 391 C SER A 26 9.153 -11.810 -10.751 1.00 34.21 C ATOM 392 O SER A 26 8.961 -12.083 -9.567 1.00 20.03 O ATOM 393 CB SER A 26 11.308 -10.593 -11.114 1.00 20.12 C ATOM 394 OG SER A 26 11.736 -11.294 -9.959 1.00 0.12 O ATOM 0 H SER A 26 9.898 -9.271 -9.448 1.00 32.22 H new ATOM 0 HA SER A 26 9.471 -10.246 -12.174 1.00 72.32 H new ATOM 0 HB2 SER A 26 11.663 -11.107 -12.007 1.00 20.12 H new ATOM 0 HB3 SER A 26 11.749 -9.596 -11.123 1.00 20.12 H new ATOM 0 HG SER A 26 12.714 -11.354 -9.956 1.00 0.12 H new ATOM 400 N ASN A 27 8.833 -12.633 -11.744 1.00 75.50 N ATOM 401 CA ASN A 27 8.223 -13.934 -11.492 1.00 62.32 C ATOM 402 C ASN A 27 9.289 -14.988 -11.207 1.00 32.20 C ATOM 403 O ASN A 27 10.439 -14.854 -11.626 1.00 73.12 O ATOM 404 CB ASN A 27 7.373 -14.363 -12.690 1.00 65.21 C ATOM 405 CG ASN A 27 5.943 -13.871 -12.590 1.00 35.12 C ATOM 406 OD1 ASN A 27 5.529 -13.337 -11.561 1.00 12.23 O ATOM 407 ND2 ASN A 27 5.179 -14.050 -13.662 1.00 1.15 N ATOM 0 H ASN A 27 8.986 -12.423 -12.730 1.00 75.50 H new ATOM 0 HA ASN A 27 7.583 -13.844 -10.615 1.00 62.32 H new ATOM 0 HB2 ASN A 27 7.823 -13.981 -13.606 1.00 65.21 H new ATOM 0 HB3 ASN A 27 7.376 -15.451 -12.763 1.00 65.21 H new ATOM 0 HD21 ASN A 27 4.207 -13.740 -13.653 1.00 1.15 H new ATOM 0 HD22 ASN A 27 5.564 -14.498 -14.494 1.00 1.15 H new ATOM 414 N LYS A 28 8.899 -16.038 -10.491 1.00 53.44 N ATOM 415 CA LYS A 28 9.818 -17.117 -10.151 1.00 3.42 C ATOM 416 C LYS A 28 10.309 -17.830 -11.407 1.00 3.24 C ATOM 417 O LYS A 28 11.501 -18.097 -11.555 1.00 30.04 O ATOM 418 CB LYS A 28 9.137 -18.119 -9.216 1.00 5.54 C ATOM 419 CG LYS A 28 8.814 -17.549 -7.845 1.00 52.34 C ATOM 420 CD LYS A 28 8.520 -18.649 -6.839 1.00 44.31 C ATOM 421 CE LYS A 28 9.795 -19.345 -6.387 1.00 11.34 C ATOM 422 NZ LYS A 28 10.670 -18.439 -5.592 1.00 14.51 N ATOM 0 H LYS A 28 7.951 -16.164 -10.135 1.00 53.44 H new ATOM 0 HA LYS A 28 10.678 -16.681 -9.642 1.00 3.42 H new ATOM 0 HB2 LYS A 28 8.215 -18.469 -9.681 1.00 5.54 H new ATOM 0 HB3 LYS A 28 9.783 -18.988 -9.096 1.00 5.54 H new ATOM 0 HG2 LYS A 28 9.652 -16.948 -7.493 1.00 52.34 H new ATOM 0 HG3 LYS A 28 7.954 -16.884 -7.920 1.00 52.34 H new ATOM 0 HD2 LYS A 28 8.009 -18.226 -5.974 1.00 44.31 H new ATOM 0 HD3 LYS A 28 7.843 -19.379 -7.283 1.00 44.31 H new ATOM 0 HE2 LYS A 28 9.539 -20.219 -5.789 1.00 11.34 H new ATOM 0 HE3 LYS A 28 10.341 -19.704 -7.259 1.00 11.34 H new ATOM 0 HZ1 LYS A 28 11.346 -19.005 -5.041 1.00 14.51 H new ATOM 0 HZ2 LYS A 28 11.190 -17.807 -6.234 1.00 14.51 H new ATOM 0 HZ3 LYS A 28 10.086 -17.871 -4.945 1.00 14.51 H new ATOM 436 N GLY A 29 9.382 -18.134 -12.310 1.00 21.33 N ATOM 437 CA GLY A 29 9.741 -18.812 -13.542 1.00 30.44 C ATOM 438 C GLY A 29 8.809 -18.467 -14.686 1.00 44.43 C ATOM 439 O GLY A 29 9.252 -18.265 -15.817 1.00 4.15 O ATOM 0 H GLY A 29 8.389 -17.923 -12.211 1.00 21.33 H new ATOM 0 HA2 GLY A 29 10.762 -18.545 -13.816 1.00 30.44 H new ATOM 0 HA3 GLY A 29 9.726 -19.889 -13.378 1.00 30.44 H new ATOM 443 N ALA A 30 7.515 -18.400 -14.394 1.00 13.40 N ATOM 444 CA ALA A 30 6.519 -18.076 -15.408 1.00 15.35 C ATOM 445 C ALA A 30 6.552 -19.083 -16.552 1.00 45.32 C ATOM 446 O ALA A 30 6.555 -18.704 -17.724 1.00 22.30 O ATOM 447 CB ALA A 30 6.741 -16.666 -15.935 1.00 64.12 C ATOM 0 H ALA A 30 7.131 -18.566 -13.464 1.00 13.40 H new ATOM 0 HA ALA A 30 5.534 -18.127 -14.944 1.00 15.35 H new ATOM 0 HB1 ALA A 30 5.990 -16.438 -16.691 1.00 64.12 H new ATOM 0 HB2 ALA A 30 6.658 -15.954 -15.114 1.00 64.12 H new ATOM 0 HB3 ALA A 30 7.735 -16.595 -16.377 1.00 64.12 H new ATOM 453 N ILE A 31 6.579 -20.365 -16.205 1.00 50.03 N ATOM 454 CA ILE A 31 6.612 -21.426 -17.205 1.00 5.45 C ATOM 455 C ILE A 31 5.329 -21.446 -18.028 1.00 1.21 C ATOM 456 O ILE A 31 5.320 -21.907 -19.170 1.00 34.24 O ATOM 457 CB ILE A 31 6.813 -22.807 -16.553 1.00 51.31 C ATOM 458 CG1 ILE A 31 5.631 -23.141 -15.641 1.00 11.11 C ATOM 459 CG2 ILE A 31 8.118 -22.839 -15.772 1.00 32.43 C ATOM 460 CD1 ILE A 31 5.696 -24.533 -15.053 1.00 22.02 C ATOM 0 H ILE A 31 6.579 -20.695 -15.240 1.00 50.03 H new ATOM 0 HA ILE A 31 7.457 -21.216 -17.861 1.00 5.45 H new ATOM 0 HB ILE A 31 6.865 -23.560 -17.339 1.00 51.31 H new ATOM 0 HG12 ILE A 31 5.592 -22.414 -14.830 1.00 11.11 H new ATOM 0 HG13 ILE A 31 4.705 -23.037 -16.207 1.00 11.11 H new ATOM 0 HG21 ILE A 31 8.246 -23.821 -15.317 1.00 32.43 H new ATOM 0 HG22 ILE A 31 8.951 -22.640 -16.447 1.00 32.43 H new ATOM 0 HG23 ILE A 31 8.094 -22.078 -14.992 1.00 32.43 H new ATOM 0 HD11 ILE A 31 4.826 -24.700 -14.417 1.00 22.02 H new ATOM 0 HD12 ILE A 31 5.704 -25.268 -15.858 1.00 22.02 H new ATOM 0 HD13 ILE A 31 6.604 -24.635 -14.459 1.00 22.02 H new ATOM 472 N ILE A 32 4.249 -20.941 -17.442 1.00 33.21 N ATOM 473 CA ILE A 32 2.961 -20.899 -18.123 1.00 15.34 C ATOM 474 C ILE A 32 2.928 -19.789 -19.168 1.00 14.01 C ATOM 475 O ILE A 32 2.355 -19.953 -20.245 1.00 5.23 O ATOM 476 CB ILE A 32 1.805 -20.686 -17.127 1.00 53.53 C ATOM 477 CG1 ILE A 32 1.790 -21.803 -16.082 1.00 73.14 C ATOM 478 CG2 ILE A 32 0.475 -20.625 -17.865 1.00 3.43 C ATOM 479 CD1 ILE A 32 2.621 -21.496 -14.857 1.00 3.31 C ATOM 0 H ILE A 32 4.240 -20.555 -16.498 1.00 33.21 H new ATOM 0 HA ILE A 32 2.832 -21.863 -18.616 1.00 15.34 H new ATOM 0 HB ILE A 32 1.958 -19.737 -16.613 1.00 53.53 H new ATOM 0 HG12 ILE A 32 0.761 -21.989 -15.775 1.00 73.14 H new ATOM 0 HG13 ILE A 32 2.157 -22.722 -16.539 1.00 73.14 H new ATOM 0 HG21 ILE A 32 -0.332 -20.474 -17.148 1.00 3.43 H new ATOM 0 HG22 ILE A 32 0.490 -19.797 -18.574 1.00 3.43 H new ATOM 0 HG23 ILE A 32 0.314 -21.560 -18.402 1.00 3.43 H new ATOM 0 HD11 ILE A 32 2.564 -22.332 -14.160 1.00 3.31 H new ATOM 0 HD12 ILE A 32 3.659 -21.340 -15.151 1.00 3.31 H new ATOM 0 HD13 ILE A 32 2.241 -20.595 -14.376 1.00 3.31 H new ATOM 491 N GLY A 33 3.547 -18.658 -18.843 1.00 25.41 N ATOM 492 CA GLY A 33 3.579 -17.538 -19.765 1.00 31.11 C ATOM 493 C GLY A 33 4.780 -17.581 -20.689 1.00 0.04 C ATOM 494 O GLY A 33 5.924 -17.552 -20.233 1.00 62.33 O ATOM 0 H GLY A 33 4.027 -18.498 -17.957 1.00 25.41 H new ATOM 0 HA2 GLY A 33 2.666 -17.536 -20.361 1.00 31.11 H new ATOM 0 HA3 GLY A 33 3.593 -16.606 -19.199 1.00 31.11 H new ATOM 498 N LEU A 34 4.521 -17.652 -21.990 1.00 5.54 N ATOM 499 CA LEU A 34 5.591 -17.700 -22.981 1.00 31.33 C ATOM 500 C LEU A 34 6.556 -16.533 -22.798 1.00 61.51 C ATOM 501 O LEU A 34 7.761 -16.730 -22.646 1.00 23.41 O ATOM 502 CB LEU A 34 5.005 -17.676 -24.394 1.00 21.14 C ATOM 503 CG LEU A 34 4.618 -19.033 -24.983 1.00 42.11 C ATOM 504 CD1 LEU A 34 3.972 -18.857 -26.349 1.00 2.04 C ATOM 505 CD2 LEU A 34 5.837 -19.939 -25.080 1.00 73.23 C ATOM 0 H LEU A 34 3.580 -17.678 -22.383 1.00 5.54 H new ATOM 0 HA LEU A 34 6.143 -18.629 -22.839 1.00 31.33 H new ATOM 0 HB2 LEU A 34 4.120 -17.039 -24.388 1.00 21.14 H new ATOM 0 HB3 LEU A 34 5.731 -17.207 -25.059 1.00 21.14 H new ATOM 0 HG LEU A 34 3.893 -19.503 -24.319 1.00 42.11 H new ATOM 0 HD11 LEU A 34 3.703 -19.833 -26.753 1.00 2.04 H new ATOM 0 HD12 LEU A 34 3.075 -18.245 -26.251 1.00 2.04 H new ATOM 0 HD13 LEU A 34 4.674 -18.366 -27.023 1.00 2.04 H new ATOM 0 HD21 LEU A 34 5.543 -20.900 -25.501 1.00 73.23 H new ATOM 0 HD22 LEU A 34 6.585 -19.475 -25.723 1.00 73.23 H new ATOM 0 HD23 LEU A 34 6.257 -20.092 -24.086 1.00 73.23 H new ATOM 517 N MET A 35 6.017 -15.319 -22.812 1.00 43.33 N ATOM 518 CA MET A 35 6.831 -14.120 -22.645 1.00 21.23 C ATOM 519 C MET A 35 6.038 -13.017 -21.952 1.00 13.11 C ATOM 520 O MET A 35 4.807 -13.024 -21.962 1.00 54.21 O ATOM 521 CB MET A 35 7.335 -13.626 -24.002 1.00 64.30 C ATOM 522 CG MET A 35 6.232 -13.098 -24.905 1.00 4.14 C ATOM 523 SD MET A 35 6.762 -12.924 -26.619 1.00 74.25 S ATOM 524 CE MET A 35 6.382 -14.554 -27.258 1.00 21.23 C ATOM 0 H MET A 35 5.021 -15.139 -22.937 1.00 43.33 H new ATOM 0 HA MET A 35 7.686 -14.376 -22.020 1.00 21.23 H new ATOM 0 HB2 MET A 35 8.071 -12.838 -23.842 1.00 64.30 H new ATOM 0 HB3 MET A 35 7.848 -14.443 -24.509 1.00 64.30 H new ATOM 0 HG2 MET A 35 5.377 -13.772 -24.860 1.00 4.14 H new ATOM 0 HG3 MET A 35 5.895 -12.130 -24.533 1.00 4.14 H new ATOM 0 HE1 MET A 35 6.654 -14.604 -28.312 1.00 21.23 H new ATOM 0 HE2 MET A 35 6.945 -15.303 -26.702 1.00 21.23 H new ATOM 0 HE3 MET A 35 5.315 -14.748 -27.149 1.00 21.23 H new ATOM 534 N VAL A 36 6.751 -12.070 -21.350 1.00 55.12 N ATOM 535 CA VAL A 36 6.113 -10.960 -20.653 1.00 53.50 C ATOM 536 C VAL A 36 6.030 -9.726 -21.545 1.00 1.44 C ATOM 537 O VAL A 36 6.772 -9.599 -22.518 1.00 32.31 O ATOM 538 CB VAL A 36 6.871 -10.597 -19.362 1.00 62.15 C ATOM 539 CG1 VAL A 36 6.783 -11.732 -18.354 1.00 74.41 C ATOM 540 CG2 VAL A 36 8.322 -10.262 -19.674 1.00 11.40 C ATOM 0 H VAL A 36 7.771 -12.050 -21.331 1.00 55.12 H new ATOM 0 HA VAL A 36 5.106 -11.286 -20.394 1.00 53.50 H new ATOM 0 HB VAL A 36 6.404 -9.716 -18.922 1.00 62.15 H new ATOM 0 HG11 VAL A 36 7.324 -11.457 -17.449 1.00 74.41 H new ATOM 0 HG12 VAL A 36 5.738 -11.921 -18.109 1.00 74.41 H new ATOM 0 HG13 VAL A 36 7.224 -12.633 -18.781 1.00 74.41 H new ATOM 0 HG21 VAL A 36 8.843 -10.008 -18.751 1.00 11.40 H new ATOM 0 HG22 VAL A 36 8.803 -11.124 -20.137 1.00 11.40 H new ATOM 0 HG23 VAL A 36 8.361 -9.414 -20.358 1.00 11.40 H new ATOM 550 N GLY A 37 5.122 -8.816 -21.205 1.00 32.05 N ATOM 551 CA GLY A 37 4.959 -7.603 -21.984 1.00 52.11 C ATOM 552 C GLY A 37 5.856 -6.480 -21.503 1.00 15.42 C ATOM 553 O GLY A 37 6.120 -5.529 -22.237 1.00 53.42 O ATOM 0 H GLY A 37 4.496 -8.898 -20.404 1.00 32.05 H new ATOM 0 HA2 GLY A 37 5.177 -7.815 -23.031 1.00 52.11 H new ATOM 0 HA3 GLY A 37 3.919 -7.280 -21.934 1.00 52.11 H new ATOM 557 N GLY A 38 6.324 -6.588 -20.263 1.00 63.12 N ATOM 558 CA GLY A 38 7.190 -5.566 -19.705 1.00 51.42 C ATOM 559 C GLY A 38 8.435 -5.341 -20.541 1.00 15.44 C ATOM 560 O GLY A 38 8.979 -4.237 -20.572 1.00 52.21 O ATOM 0 H GLY A 38 6.119 -7.365 -19.635 1.00 63.12 H new ATOM 0 HA2 GLY A 38 6.637 -4.630 -19.623 1.00 51.42 H new ATOM 0 HA3 GLY A 38 7.481 -5.853 -18.695 1.00 51.42 H new ATOM 564 N VAL A 39 8.888 -6.390 -21.219 1.00 21.13 N ATOM 565 CA VAL A 39 10.077 -6.302 -22.058 1.00 21.31 C ATOM 566 C VAL A 39 9.711 -5.946 -23.494 1.00 51.22 C ATOM 567 O VAL A 39 10.489 -5.310 -24.205 1.00 41.13 O ATOM 568 CB VAL A 39 10.866 -7.625 -22.054 1.00 73.41 C ATOM 569 CG1 VAL A 39 11.279 -7.997 -20.638 1.00 50.22 C ATOM 570 CG2 VAL A 39 10.043 -8.737 -22.687 1.00 61.33 C ATOM 0 H VAL A 39 8.450 -7.311 -21.204 1.00 21.13 H new ATOM 0 HA VAL A 39 10.702 -5.513 -21.639 1.00 21.31 H new ATOM 0 HB VAL A 39 11.771 -7.490 -22.647 1.00 73.41 H new ATOM 0 HG11 VAL A 39 11.835 -8.934 -20.656 1.00 50.22 H new ATOM 0 HG12 VAL A 39 11.908 -7.209 -20.224 1.00 50.22 H new ATOM 0 HG13 VAL A 39 10.390 -8.114 -20.019 1.00 50.22 H new ATOM 0 HG21 VAL A 39 10.615 -9.665 -22.676 1.00 61.33 H new ATOM 0 HG22 VAL A 39 9.120 -8.873 -22.123 1.00 61.33 H new ATOM 0 HG23 VAL A 39 9.803 -8.471 -23.716 1.00 61.33 H new ATOM 580 N VAL A 40 8.520 -6.359 -23.916 1.00 31.54 N ATOM 581 CA VAL A 40 8.049 -6.083 -25.267 1.00 54.52 C ATOM 582 C VAL A 40 6.599 -5.611 -25.258 1.00 32.40 C ATOM 583 O VAL A 40 5.719 -6.287 -24.725 1.00 70.51 O ATOM 584 CB VAL A 40 8.167 -7.326 -26.169 1.00 2.23 C ATOM 585 CG1 VAL A 40 7.418 -8.501 -25.559 1.00 54.25 C ATOM 586 CG2 VAL A 40 7.651 -7.021 -27.567 1.00 3.31 C ATOM 0 H VAL A 40 7.864 -6.886 -23.341 1.00 31.54 H new ATOM 0 HA VAL A 40 8.683 -5.292 -25.667 1.00 54.52 H new ATOM 0 HB VAL A 40 9.220 -7.598 -26.247 1.00 2.23 H new ATOM 0 HG11 VAL A 40 7.512 -9.370 -26.210 1.00 54.25 H new ATOM 0 HG12 VAL A 40 7.839 -8.733 -24.581 1.00 54.25 H new ATOM 0 HG13 VAL A 40 6.365 -8.243 -25.448 1.00 54.25 H new ATOM 0 HG21 VAL A 40 7.742 -7.910 -28.191 1.00 3.31 H new ATOM 0 HG22 VAL A 40 6.604 -6.722 -27.511 1.00 3.31 H new ATOM 0 HG23 VAL A 40 8.237 -6.211 -28.002 1.00 3.31 H new TER 596 VAL A 40